Publications
- 2024
Abd Essamade Saufi, Hannah Bellenbaum, Martin Read, Nicolas Niasse, Sean Barrett, Nicholas Hawker, Nathan Joiner, David Chapman FLAIM: A reduced volume ignition model for the compression and thermonuclear burn of spherical fuel capsules High Energy Density Physics, Volume 53, December 2024, 101159
Zhandos Moldabekov, Jan Vorberger, Tobias Dornheim From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions Progress in Particle and Nuclear Physics, 16 October 2024, 104144
Attila Cangi Bridging the gap in electronic structure calculations via machine learning Nature Computational Science (10 October 2024)
Justin M. Calabrese, Lennart Schüler, Xiaoming Fu, Erik Gawel, Heinrich Zozmann, Jan Bumberger, Martin Quaas, Gerome Wolf, Sabine Attinger A novel, scenario-based approach to comparing non-pharmaceutical intervention strategies across nations J. R. Soc. Interface 21: 20240301, 11 September 2024
T. Gawne, H. Bellenbaum, L.B. Fletcher, K. Appel, C. Baehtz, V. Bouffetier, E. Brambrink, D. Brown, A. Cangi, A. Descamps, S.Goede, N.J. Hartley, M-L. Herbert, P. Hesselbach, H. Höppner, O.S. Humphries, Z. Konôpková, A.L. Garcia,, B. Lindqvist, J. Lütgert, M. MacDonald, M. Makita, W. Martin, M. Mishchenko, Z.A. Moldabekov, M. Nakatsutsumi, JP. Naedler, P. Neumayer, A. Pelka, C. Qu, L. Randolph, J. Rips, T. Toncian, J. Vorberger, L. Wollenweber, U. Zastrau, D.Kraus, T.R. Preston, T. Dornheim Effects of mosaic crystal instrument functions on x-ray Thomson scattering diagnostics J. Appl. Phys. 136, 105902 (2024)
William F. Fagan, Ananke Krishnan, Qianru Liao, Christen H. Fleming, Daisy Liao, Clayton Lamb, Brent Patterson, Tyler Wheeldon, Ricardo Martinez-Garcia, Jorge F. S. Menezes, Michael J. Noonan, Eliezer Gurarie, Justin M. Calabrese Intraspecific encounters can lead to reduced range overlap Movement Ecology volume 12, Article number: 58 (2024)
Tobias Dornheim, Panagiotis Tolias, Jan Vorberger, Zhandos A. Moldabekov Quantum delocalization, structural order, and density response of the strongly coupled electron liquid EPL, 147 (2024) 36001
Blanche Mongeon, Julien Hébert-Doutreloux, Anudeep Surendran, Elham Karimi,Benoit Fiset,Daniela F. Quail, Logan A. Walsh, Adrianne L. Jenner, Morgan Craig Spatial computational modelling illuminates the role of the tumour microenvironment for treating glioblastoma with immunotherapies npj Systems Biology and Applications volume 10, Article number: 91 (2024)
Karan Shah, Julie Butler, Alexis V. Knaub, Anıl Zenginoğlu, William Ratcliff, Mohammad Soltanieh-ha Data science education in undergraduate physics: Lessons learned from a community of practice Am. J. Phys. 92, 655–662 (2024)
Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras, Zhandos A. Moldabekov, Jan Vorberger Dynamic exchange correlation effects in the strongly coupled electron liquid Phys. Rev. B 110, 075137
Ciro Cabal, Gabriel A. Maciel, Ricardo Martinez-Garcia Plant antagonistic facilitation across environmental gradients: a soil-resource ecosystem engineering model New Phytologist (2024)
Andrei Mitrofanov, Oliver Dreimann, Karina Zakirova, Albrecht L. Waentig,Angelika Wrzesińska-Lashkova, Agnieszka Kuc, Michael Ruck, Yana Vaynzof, Xinliang Feng, Brigitte Voit Narrow Bandgap 1D Lead Iodide Perovskite with Aminophenyl Viologen American Chemical Society July 26, 2024
Juan-Esteban Suarez Cardona, Phil-Alexander Hofmann, Michael Hecht Negative order sobolev cubatures: preconditioners of partial differential equation learning tasks circumventing numerical stiffness Mach. Learn.: Sci. Technol. 5 (2024) 035029
Chethan Krishnamurthy Ramanaik,Anna Willmann, Juan-Esteban Suarez Cardona,Pia Hanfeld, Nico Hoffmann, Michael Hecht Ensuring Topological Data-Structure Preservation under Autoencoder Compression Due to Latent Space Regularization in Gauss–Legendre Nodes Axioms 2024, 13(8), 535
Tobias Dornheim,Sebastian Schwalbe, Panagiotis Tolias, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger Ab initio density response and local field factor of warm dense hydrogen Matter Radiat. Extremes 9, 057401 (2024)
Klaudia Dereń, Arkadiusz Żurek Comparative analysis of risks in traditional inventory methods and UAV-assisted inventory processes CLC 2023, November 8 – 10, 2023
Noshad Khosravi Largani, Tobias Fischer, Shota Shibagaki, Pablo Cerda-Duran, Alejandro Torres-Forne Neutron stars in accreting systems — Signatures of the QCD phase transition A&A, 20 March 2024
Shota Shibagaki, Takami Kuroda, Kei Kotake, Tomoya Takiwaki, Tobias Fischer Three-dimensional GRMHD simulations of rapidly rotating stellar core collapse MNRAS 531, 3732–3743 (2024)
Abhishek Senapati, Adam Mertel, Weronika Schlechte-Welnicz, Justin M. Calabrese Estimating Cross-Border Mobility from the Difference in Peak Timing: A Case Study of Poland–Germany Border Regions Mathematics 2024, 12(13), 2065
Daniel C. P. Jorge, Ricardo Martinez-Garcia Demographic effects of aggregation in the presence of a component Allee effect Royal Society, volume 21, Issue 215
T. Dornheim, T. Döppner, A. D. Baczewski, P. Tolias, M. P. Böhme, Zh. A. Moldabekov, Th. Gawne, D. Ranjan, D. A. Chapman, M. J. MacDonald, Th. R. Preston, D. Kraus, J. Vorberger X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain Scientific Reports volume 14, Article number: 14377 (2024)
Thomas Gawne, Zhandos A. Moldabekov, Oliver S. Humphries, Karen Appel, Carsten Baehtz, Victorien Bouffetier, Erik Brambrink, Attila Cangi, Sebastian Göde, Zuzana Konôpková, Mikako Makita, Mikhail Mishchenko, Motoaki Nakatsutsumi, Kushal Ramakrishna, Lisa Randolph, Sebastian Schwalbe, Jan Vorberger, Lennart Wollenweber, Ulf Zastrau, Tobias Dornheim, Thomas R. Preston Ultrahigh resolution x-ray Thomson scattering measurements at the European X-ray Free Electron Laser Phys. Rev. B 109, L241112
Zhandos A. Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim Excitation signatures of isochorically heated electrons in solids at finite wave number explored from first principles Phys. Rev. Research 6, 023219
Zhandos Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim Ultrafast Heating-Induced Suppression of d-Band Dominance in the Electronic Excitation Spectrum of Cuprum ACS Publications 05.2024
Tamás Gál, Philippe Gras, Benedikt Hegner, Uwe Hernandez Acosta, Stefan Kluth, Jerry Ling, Pere Mato, Alexander Moreno, Jim Pivarski, Oliver Schulz, Graeme Stewart, Jan Strube, Vasil Vasilev Is Julia ready to be adopted by HEP? EPJ Web of Conf. Volume 295, 2024
Jan Tiemann, Matthew McGinity, Ivo F. Sbalzarini, Ulrik Günther Live and Interactive 3D Photomanipulation under the Microscope using Virtual Reality ACM DL Article No.: 228
H. Poole, M. K. Ginnane, M. Millot, H. M. Bellenbaum, G. W. Collins, S. X. Hu, D. Polsin, R. Saha, J. Topp-Mugglestone, T. G. White, D. A. Chapman, J. R. Rygg, S. P. Regan, G. Gregori Multimessenger measurements of the static structure of shock-compressed liquid silicon at 100 GPa Phys. Rev. Research 6, 023144
Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim Fourier–Matsubara series expansion for imaginary–time correlation functions J. Chem. Phys. 160, 181102 (2024)
Tobias Dornheim, Sebastian Schwalbe, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties J. Chem. Phys. 160, 164111 (2024)
Melanie Krause,Jerzy Samolej, Artur Yakimovich, Janos Kriston-Vizi, Moona Huttunen, Samuel Lara-Reyna, Eva-Maria Frickel, Jason Merce Vaccinia virus subverts xenophagy through phosphorylation and nuclear targeting of p62 J Cell Biol (2024) 223 (6)
Nathan Silvano, Daniel G. Barci Emergent gauge symmetry in active Brownian matter Phys. Rev. E 109, 044605
Ana Batista, Abhishek Senapati, Mansoor Davoodi, Justin M. Calabrese Personnel staffing and scheduling during disease outbreaks: A contact network-based analysis Computers & Industrial Engineering 04.2024
Mansoor Davoodi Monfared, Justin Calabrese Test Center Location Problem: A Bi-Objective Model and Algorithms Algorithms 2024, 17, 135
Agnieszka A. Tubis, Honorata Poturaj, Klaudia Dereń, Arkadiusz Żurek Risks of Drone Use in Light of Literature Studies Sensors 2024, 24, 1205
Hossein Tahmasbi, Kushal Ramakrishna, Mani Lokamani, Attila Cangi Machine learning-driven structure prediction for iron hydrides Phys. Rev. Materials 8, 033803 – 21 March 2024
Maxim Eingorn, Ezgi Yilmaz, A. Emrah Yükselci, Alexander Zhuk Mass density vs. energy density at cosmological scales Physics Letters B Volume 851, April 2024, 138564
Eduardo H Colombo, Ricardo Martinez-Garcia, Justin M Calabrese, Cristóbal López, Emilio Hernández-García Pulsed interactions unify reaction–diffusion and spatial nonlocal models for biological pattern formation Journal of Statistical Mechanics (2024) 034001
Panagiotis Tolias, Federico Lucco Castello, Fotios Kalkavouras, Tobias Dornheim Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid Phys. Rev. B 109, 125134 – Published 19 March 2024
Vincent Martinetto, Karan Shah, Attila Cangi, Aurora Pribram-Jones Inverting the Kohn–Sham equations with physics-informed machine learning 2024 Mach. Learn.: Sci. Technol. 5 015050
Florian M. Arnold, Alireza Ghasemifard, Agnieszka Kuc, Thomas Heine Implementing electronic signatures of graphene and hexagonal boron nitride in twisted bilayer molybdenum disulfide Materials Today 16 February 2024
Vaibhav Sharma, Artur Yakimovich A deep learning dataset for sample preparation artefacts detection in multispectral high-content microscopy Scientific Data volume 11, Article number: 232 (2024)
Gentian Zavalani, Elima Shehu, Michael Hecht A note on the rate of convergence of integration schemes for closed surfaces Computational and Applied Mathematics Volume 43, article number 92, (2024)
Jan Vorberger, Thomas R. Preston, Nikita Medvedev, Maximilian P. Böhme, Zhandos A. Moldabekov, Dominik Kraus, Tobias Dornheim Revealing non-equilibrium and relaxation in laser heated matter Physics Letters A 499 (2024) 129362
Jerzy Samolej. Diogo Correa Mendonca, Nicole Upfold, Marion McElwee, Mariann Landsberger, Artur Yakimovich, Arvind H. Patel, Blair L. Strang, Jason Mercer Bisbenzimide compounds inhibit the replication of prototype and pandemic potential poxviruses ASM Journals, Microbiology Spectrum, Vol.12, No.4
G. Röpke, T. Dornheim, J. Vorberger, D. Blaschke, B. Mahato Virial coefficients of the uniform electron gas from path-integral Monte Carlo simulations Phys. Rev. E 109, 025202
Natasha Liou, Trina De, Adrian Urbanski, Catherine Chieng, Qingyang Kong, Anna L. David, Rajvinder Khasriya, Artur Yakimovich, Harry Horsley A clinical microscopy dataset to develop a deep learning diagnostic test for urinary tract infection Nature Scientific Data (2024) 11:155
Muhammad Sufyan Ramzan, Tomasz Woźniak, Agnieszka Kuc, Caterina Cocchi Composition-Dependent Absorption of Radiation in Semiconducting MSi2Z4 Monolayers Phys. Status Solidi B2024, 2300570
Tobias Dornheim, Sebastian Schwalbe, Zhandos A. Moldabekov, Jan Vorberger, Panagiotis Tolias Ab Initio Path Integral Monte Carlo Simulations of the Uniform Electron Gas on Large Length Scales J. Phys. Chem. Lett. 2024, 15, XXX, 1305–1313
Frederick Stein, Jürg Hutter Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene J. Chem. Phys. 160, 024120 (2024)
Agnieszka A. Tubis, Honorata Poturaj, Klaudia Dereń, Arkadiusz Żurek TitleRisks of Drone Use in Light of Literature Studies MDPI Sensors 2024, 24(4)
Yakimovich, Artur Toward the novel AI tasks in infection biology Msphere ASM Journals mSphere Vol. 9, No. 2
- 2023
Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Frank Graziani, Tobias Dornheim, Imposing correct jellium response is key to predict the density response by orbital-free DFT 22 December 2023, Phys. Rev. B 108, 235168
Zhandos A. Moldabekov, Sebastian Schwalbe, Maximilian P. Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R. Graziani, Tobias Dornheim, Bound-State Breaking and the Importance of Thermal Exchange–Correlation Effects in Warm Dense Hydrogen, December 22, 2023, Journal of Chemical Theory and Computation
Mino Borrelli, Yun An, Christine J. Querebillo, Ahiud Morag, Christof Neumann, Andrey Turchanin, Hanjun Sun, Agnieszka Kuc, Inez M. Weidinger, Xinliang Feng, Donor-Acceptor Conjugated Acetylenic Polymers for High-Performance Bifunctional Photoelectrodes, 08 December 2023, ChemSusChem
Timothy J Callow, Jan Nikl, Eli Kraisler, Attila Cangi Physics-enhanced neural networks for equation-of-state calculations, 2023 Mach. Learn.: Sci. Technol. 4 045055
Inês Silva, Justin M Calabrese, Emerging opportunities for wildlife conservation with sustainable autonomous transportation, Frontiers in Ecology and the Environment, 07 December 2023
Ismail Eren, Yun An, Agnieszka B. Kuc, Hydrogen Transport Between Layers of Transition Metal-Dichalcogenides, Advanced Materials Interfaces, 05 December 2023
Vaibhav Sharma, Artur Yakimovich Phenotype-preserving metric design for high-content image reconstruction by generative inpainting SPIE Nanoscience + Engineering, 2023
Sruthil Lal S. B., Lokamani, Kushal Ramakrishna, Attila Cangi, D. Murali, Matthias Posselt, Assa Aravindh Sasikala Devi, Alok Sharan, Ab initio insights on the ultrafast strong-field dynamics of anatase TiO2, Phys. Rev. B 108, 195149
Mansoor Davoodi, Ana Batista, Adam Mertel, Abhishek Senapati, Wildan Abdussalam, Jiri Vyskocil, Giuseppe Barbieri, Kai Fan, Weronika Schlechte-Welnicz, Justin M Calabrese, A Web-Based COVID-19 Tool for Testing Residents in Retirement Homes: Development Study, JMIR Publications 21.11.2023 Vol 7 (2023)
Roman Kempt, Agnieszka Kuc, Thomas Brumme, Thomas Heine Edge Conductivity in PtSe2 Nanostructures, Wiley, Small Structures, 12 November 2023
Tobias Dornheim, Panagiotis Tolias, Simon Groth, Zhandos A. Moldabekov, Jan Vorberger, Barak Hirshberg Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles, J. Chem. Phys. 159, 164113 (2023)
Damar Wicaksono, Michael Hecht UQTestFuns: A Python3 library of uncertainty quantification (UQ) test functions, The Journal of Open Source Software (JOSS), 07 July 2023
Edward R. Ivimey-Cook, Joel L. Pick, Kevin R. Bairos-Novak, Antica Culina, Elliot Gould, Matthew Grainger, Benjamin M. Marshall, David Moreau, Matthieu Paquet, Raphaël Royauté, Alfredo Sánchez-Tójar, Inês Silva, Saras M. Windecker Implementing code review in the scientific workflow: Insights from ecology and evolutionary biology Jurnal of Evolutionary Biology, vol. 36, Issue 10, October 2023
K. Ramakrishna, M. Lokamani, A. Baczewski, J. Vorberger, A. Cangi Impact of electronic correlations on high-pressure iron: insights from time-dependent density functional theory, Electronic Structure, Volume 5, Number 4 (2023)
Jonas Eschle, Tamás Gál, Mosè Giordano, Philippe Gras, Benedikt Hegner, Lukas Heinrich, Uwe Hernandez Acosta, Stefan Kluth, Jerry Ling, Pere Mato, Mikhail Mikhasenko, Alexander M. Briceño, Jim Pivarski, Konstantinos Samaras-Tsakiris, Oliver Schulz, Graeme A. Stewart, Jan Strube, Vassil Vassilev Potential of the Julia Programming Language for High Energy Physics Computing 7, Article number: 10 (2023)
Nathan O. Silvano, Daniel G. Barci The role of multiplicative noise in critical dynamics, Physica A: Statistical Mechanics and its Applications, Volume 630, 15 November 2023, 129246
Lenz Fiedler, Karan Shah, Attila Cangi Machine-Learning for Static and Dynamic Electronic Structure Theory Challenges and Advances in Computational Chemistry and Physics book series (COCH,volume 36), 02 October 2023
Enrico Ser-Giacomi, Ricardo Martinez-Garcia, Stephanie Dutkiewicz, Michael J. Follows A Lagrangian model for drifting ecosystems reveals heterogeneity-driven enhancement of marine plankton blooms, Nature Communications volume 14, Article number: 6092 (2023)
Lenz Fiedler, Normand A. Modine, Kyle D. Miller, Attila Cangi Machine learning the electronic structure of matter across temperatures, Phys. Rev. B 108, 125146 – 28 September 2023
Philipp Mendgen, N. Dejid, Kirk Olson, B. Buuveibaatar, Justin M. Calabrese, Buyanaa Chimeddorj, Munkhnast Dalannast, William F. Fagan, Peter Leimgruber, Thomas Müller Nomadic ungulate movements under threat: Declining mobility of Mongolian gazelles in the Eastern Steppe of Mongolia, Biological Conservation Volume 286, October 2023, 110271
Juan Esteban Suarez, Michael Hecht Polynomial Differentiation Decreases the Training Time Complexity of Physics-Informed Neural Networks and Strengthens their Approximation Power, IOP Publishing Ltd, September 2023
Rui Li, Mikhail Kudryashev, Artur Yakimovich A weak-labelling and deep learning approach for in-focus object segmentation in 3D widefield microscopy Nature,
scientific reports 13, Article number: 12275 (2023)Janina Schreiber, Damar Wicaksono, Michael Hecht, Minimizing Black Boxes due to Polynomial-Model-Based Optimization GECCO ’23 Companion, July 2023
Sandeep Kumar, Hossein Tahmasbi, Kushal Ramakrishna, Mani Lokamani, Svetoslav Nikolov, Julien Tranchida, Mitchell A. Wood, Attila Cangi Transferable interatomic potential for aluminum from ambient conditions to warm dense matter, Phys. Rev. Research 5, 033162, (2023)
Tobias Dornheim, Maximilian P. Böhme, Zhandos A. Moldabekov, Jan Vorberger Electronic density response of warm dense hydrogen on the nanoscale, Phys.Rev.E 108, 035204, (2023)
Inês Silva, Christen H. Fleming, Michael J. Noonan, William F. Fagan, Justin M. Calabrese movedesign: Shiny R app to evaluate sampling design for animal movement studies, British Ecological Society – Methods in Ecology and Evolution, (2023)
Tobias Dornheim, Zhandos A. Moldabekov, Panagiotis Tolias, Maximilian Böhme, Jan Vorberge Physical insights from imaginary-time density–density correlation functions, Matter and Radiation at Extremes 8, 056601 (2023)
S. K. T. Veettil, Gentian Zavalani, U. Hernandez Acosta, Ivo F. Sbalzarini, Michael Hecht Global polynomial level sets for numerical differential geometry of smooth closed surfaces, SIAM J. Sci. Comput., 45(4):A1995-A2018, 2023
Klaus Steiniger, Rene Widera, Sergei Bastrakov, Michael Bussmann, Sunita Chandrasekaran, Benjamin Hernandez, Kristina Holsapple, Axel Huebl, Guido Juckeland, Jeffrey Kelling, Matt Leinhauser, Richard Pausch, David Rogers, Ulrich Schramm, Jeff Young, Alexander Debus An efficient, charge conserving current deposition algorithm for electromagnetic particle-in-cell simulations, Computer Physics Communications Volume 291, October 2023, 108849
Siamak Kheybari, Mansoor Davoodi Monfared, Amirhossein Salamirad, Jafar Rezaei Bioethanol sustainable supply chain design: A multi-attribute bi-objective structure, Computers & Industrial Engineering, Volume 180, June 2023, 109258
Mansoor Davoodi, Jafar Rezaei Bi-sided facility location problems: an efficient algorithm for k-centre, k-median, and travelling salesman problems, International Journal of Systems Science: Operations & Logistics, Article: 2235814
Paul Hamann, Linda Kordts, Alexey Filinov, Michael Bonitz, Tobias Dornheim, Jan Vorberger, Prediction of a roton-type feature in warm dense hydrogen, Phys. Rev. Research 5, 033039
U. Hernandez Acosta, B. Kämpfer Strong-field QED in the Furry-picture momentum-space formulation: Ward identities and Feynman diagrams, Phys. Rev. D 108, 016013
Mansoor Davoodi, Ana Batista, Abhishek Senapati, Justin M. Calabrese Personnel Scheduling during the COVID-19 Pandemic: A Probabilistic Graph-Based Approach, Healthcare 2023, 11(13), 1917
Lenz Fiedler, Normand A. Modine, Steve Schmerler, Dayton J. Vogel, Gabriel A. Popoola, Aidan P. Thompson, Sivasankaran Rajamanickam, Attila Cangi Predicting electronic structures at any length scale with machine learning, npj Computational Materials volume 9, Article number: 115 (2023)
Richa Tripathi, Amit Reza, Adam Mertel, Guohuan Su, Justin M. Calabrese A network-based approach to identifying correlations between phylogeny, morphological traits and occurrence of fish species in US river basins, PLOS ONE
Vivian Dornelas, Pablo de Castro, Justin M. Calabrese, William F. Fagan, Ricardo Martinez-Garcia How movement bias to attractive regions determines population spread and critical habitat size, arXiv
Lenz Fiedler, Normand A. Modine, Kyle D. Miller, Attila Cangi Machine learning the electronic structure of matter across temperatures, arXiv
T. Döppner, M. Bethkenhagen, D. Kraus, P. Neumayer, D. A. Chapman, B. Bachmann, R. A. Baggott, M. P. Böhme, L. Divol, R. W. Falcone, L. B. Fletcher, O. L. Landen, M. J. MacDonald, A. M. Saunders, M. Schörner, P. A. Sterne, J. Vorberger, B. B. L. Witte, A. Yi, R. Redmer, S. H. Glenzer & D. O. Gericke Observing the onset of pressure-driven K-shell delocalization, Nature volume 618, pages 270–275 (2023)
Tobias Dornheim, Maximilian Böhme, Zhandos Moldabekov, Jan Vorberger Electronic density response of warm dense hydrogen on the nanoscale, arXiv
William F Fagan, Ananke Garani Krishnan, Qianru Liao, Christen Herbert Fleming, Daisy F Liao, Clayton Lamb, Brent Patterson, Tyler Wheeldon, Ricardo Martinez-Garcia, Jorge Menezes, Michael J Noonan, Eliezer Gurarie, Justin M. Calabrese Intraspecific encounters can induce home-range shifts, bioRxiv
Marlee Tucker, [16 other authors], Justin M. Calabrese, [154 other authors], Thomas Mueller Behavioral responses of terrestrial mammals to COVID-19 lockdowns, Science Volume 380, Issue 6649 Jun 2023
Attila Cangi, Jonathan Citr, Udo von Toussaint Machine learning methods in plasma physics, Contributions to Plasma Physics, ISSN: 0863-1042 07.06.2023
J. Eschle, T. Gal, M. Giordano, P. Gras, B. Hegner, L. Heinrich, U. Hernandez Acosta, S. Kluth, J. Ling, P. Mato, M. Mikhasenko, A. Moreno Briceño, J. Pivarski, K. Samaras-Tsakiris, O. Schulz, G. .A. Stewart, J. Strube, V. Vassilev Potential of the Julia programming language for high energy physics computing, arXiv
Rui Li, Gabriel della Maggiora, Vardan Andriasyan, Anthony Petkidis, Artsemi Yushkevich, Mikhail Kudryashev, Artur Yakimovich Microscopy image reconstruction with physics-informed denoising diffusion probabilistic model, arXiv
Thomas W. Hentschel, Alina Kononov, Alexandra Olmstead, Attila Cangi, Andrew D. Baczewski, Stephanie B. Hansen Improving dynamic collision frequencies: Impacts on dynamic structure factors and stopping powers in warm dense matter, Physics of Plasmas 30, 062703 (2023)
Mansoor Davoodi, Abhishek Senapati, Adam Mertel, Weronika Schlechte-Welnicz, Justin M. Calabrese, On the optimal presence strategies for workplace during pandemics: A COVID-19 inspired probabilistic model, PLOS, May 12, 2023
Richa Tripathi, Amit Reza, Justin M. Calabrese Role of Network Topology in Between-Community Beta Diversity on River Networks, Studies in Computational Intelligence (SCI,volume 1078)
Guohuan Su, Adam Mertel, Sébastien Brosse, Justin M. Calabrese Species invasiveness and community invasibility of North American freshwater fish fauna revealed via trait-based analysis,Nature Communications volume 14, Article number: 2332 (2023)
Jeffery Demers, William F.Fagan, Sriya Potluri, Justin M. Calabrese The relationship between controllability, optimal testing resource allocation, and incubation-latent period mismatch as revealed by COVID-19. Infectious Disease Modelling, Volume 8, Issue 2, June 2023, Pages 514-538
Tobias Dornheim, Tilo Döppner, Andrew D. Baczewski, Panagiotis Tolias, Maximilian P. Böhme, Zhandos A. Moldabekov, Divyanshu Ranjan, David A. Chapman, Michael J. MacDonald, Thomas R. Preston, Dominik Kraus, Jan Vorberger X-ray Thomson scattering absolute intensity from the f-sum rule in the imaginary-time domain. arXiv
Pia Hanfeld, Marina M.-C. Höhne, Michael Bussmann, Wolfgang Hönig Flying Adversarial Patches: Manipulating the Behavior of Deep Learning-based Autonomous Multirotors. arXiv
D. Ranjan, K. Ramakrishna, K. Voigt, O. S. Humphries, B. Heuser, M. G. Stevenson, J. Lütgert, Z. He, C. Qu, S. Schumacher, P. T. May, A. Amouretti, K. Appel, E. Brambrink, V. Cerantola, D. Chekrygina, L. B. Fletcher, S. Göde, M. Harmand, N. J. Hartley, S. P. Hau-Riege, M. Makita, A. Pelka, A. K. Schuster, M. Šmíd, T. Toncian, M. Zhang, T. R. Preston, U. Zastrau, J. Vorberger, D. Kraus. Toward using collective x-ray Thomson scattering to study C–H demixing and hydrogen metallization in warm dense matter conditions. Physics of Plasmas 30, 052702 (2023)
Daniel Cardoso Pereira Jorge, Ricardo Martinez-Garcia, Demographic effects of aggregation in the presence of a component Allee effect. bioRxiv
T. J. Callow, E. Kraisler, A. Cangi, Physics-enhanced neural networks for equation-of-state calculations. arXiv
Zhandos A. Moldabekov, Michele Pavanello, Maximilian P. Böhme, Jan Vorberger, Tobias Dornheim Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange-correlation kernels, Phys. Rev. Research 5, 023089 (2023)
A. Dey, S. Bhattacharyya, S. Dey, D. Konar, J. Platos, V. Snasel, L. Mrsic, P. Pal A Review of Quantum-Inspired Metaheuristic Algorithms for Automatic Clustering, Mathematics 2023, 11(9)
P. Tolias, F. Lucco Castello, T. Dornheim, Quantum version of the integral equation theory-based dielectric scheme for strongly coupled electron liquids, J. Chem. Phys. 158, 141102 (2023)
T. Dornheim, M. P. Böhme, D. A. Chapman, D. Kraus, T. R. Preston, Z. A. Moldabekov, N. Schlünzen, A. Cangi, T. Döppner, J. Vorberger, Imaginary-time correlation function thermometry: A new, high-accuracy and model-free temperature analysis technique for x-ray Thomson scattering data, Physics of Plasmas 30, 042707 (2023)
Z. A. Moldabekov, M. Lokamani, J. Vorberger, A. Cangi, T. Dornheim, Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons, J. Chem. Phys. 158, 094105 (2023)
T. Dornheim, Z. A. Moldabekov, K. Ramakrishna, P. Tolias, A. D. Baczewski, D. Kraus, T. R. Preston, D. A. Chapman, M. P. Böhme, T. Döppner, F. Graziani, M.Bonitz, A. Cangi, J. Vorberger, Electronic density response of warm dense matter, Physics of Plasmas 30, 032705 (2023)
K. Ramakrishna, M. Lokamani, A. Baczewski, J. Vorberger, A. Cangi, Electrical conductivity of iron in Earth’s core from microscopic Ohm’s law. Phys. Rev. B 107, 115131 (2023)
T. Dornheim, Z. A. Moldabekov, K. Ramakrishna, P. Tolias, A. D. Baczewski, D. Kraus, T. R. Preston, D. A. Chapman, M. P. Böhme, T. Döppner, F. Graziani, M. Bonitz, A. Cangi, J. Vorberger, Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons. J. Chem. Phys. 158, 094105 (2023)
M. Eingorn, B. O’Briant, A. Diouf, A. Zhuk, Backreaction in cosmic screening approach. Physics Letters B, Volume 839, 10 April 2023, 137797 (2023)
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D. Konar, A. Das Sarma, S. Bhandary, S. Bhattacharyya, A. Cangi, V. Aggarwal, A shallow hybrid classical–quantum spiking feedforward neural network for noise-robust image classification. Applied Soft Computing, Volume 136, 2023, 110099 (2023)
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Z. A. Moldabekov, M. Lokamani, J. Vorberger, A. Cangi, T. Dornheim, Non-empirical Mixing Coefficient for Hybrid XC Functionals from Analysis of the XC Kernel. The Journal of Physical Chemistry Letters 2023 14 (5), 1326-1333 (2023)
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H. Ataei, M. Davoodi, The p-center problem under locational uncertainty of demand points. Discrete Optimization, volume 47 (2023)
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M. Davoodi, M. Ghaffari, Learning-based systems for assessing hazard places of contagious diseases and diagnosing patient possibility. Expert Systems with Applications, Volume 213, Part B (2023)
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L. Fiedler, K. Shah, M. Bussmann, A. Cangi, Deep dive into machine learning density functional theory for materials science and chemistry, Phys. Rev. Materials 6, 040301 (2022)
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L. Fiedler, Z. A. Moldabekov, X. Shao, K. Jiang, T. Dornheim, M. Pavanello, A. Cangi, Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory. Phys. Rev. Research 4, 043033 (2022)
K. Widyastuti, R. Reuillon, P. Chapron, W. Abdussalam, D. Nasir, M. E. Harrison, H. Morrogh-Bernard, M. Ali Imron, U. Berger, Assessing the impact of forest structure disturbances on the arboreal movement and energetics of orangutans—An agent-based modeling approach. Front. Ecol. Evol. 10:983337. (2022)
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R. Li, V. Sharma, S. Thangamani, A. Yakimovich, Open-Source Biomedical Image Analysis Models: A Meta-Analysis and Continuous Survey. Front. Bioinform. (2022)
T. Dornheim, P. Tolias, Z. A. Moldabekov, A. Cangi, J. Vorberger, Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations. J. Chem. Phys. 156, 244113 (2022)
F. Lucco Castello, P. Tolias, T. Dornheim, Classical bridge functions in classical and quantum plasma liquids. EPL 138 44003 (2022)
J. Kelling, S. Bastrakov, A. Debus, T. Kluge, M. Leinhauser, R. Pausch, K. Steiniger, J. Stephan, R. Widera, J. Young, M. Bussmann, S. Chandrasekaran, G. Juckeland, Challenges Porting a C++ Template-Metaprogramming Abstraction Layer to Directive-based Offloading. LNPSE,volume 13194 (2022)
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E. P. Medici, S. Mezzini, C. H. Fleming, J. M. Calabrese, M. J. Noonan, Movement ecology of vulnerable lowland tapirs between areas of varying human disturbance. Mov Ecol 10, 14 (2022)
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J. M. Alston, M. E. Dillon, D. A. Keinath, I. M. Abernethy, J.R. Goheen, Daily torpor reduces the energetic consequences of microhabitat selection for a widespread bat. Ecology (2022)
B.M. Gruber, G. Amadio, J. Blomer, A. Matthes, R. Widera, M. Bussmann, LLAMA: The low-level abstraction for memory access. Softw Pract Exper. (2022)
E. Galimov, A. Yakimovich, A tandem segmentation-classification approach for the localization of morphological predictors of C. elegans lifespan and motility, Aging (2022)
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Z. A. Moldabekov, T. Dornheim, G. Gregori, F. Graziani, M. Bonitz, A. Cangi, Towards a quantum fluid theory of correlated many-fermion systems from first principles, SciPost Phys. 12, (2022)
S. Maddu, D. Sturm, C. L. Müller, I. F. Sbalzarini, Inverse Dirichlet weighting enables reliable training of physics informed neural networks, Mach. Learn.: Sci. Technol. 3 (2022)
K. Fan, R. Dhammapala, K. Harrington, R. Lamastro, B. Lamb, Y. Lee, Development of a Machine Learning Approach for Local-Scale Ozone Forecasting: Application to Kennewick, WA. Front. Big Data 5:781309 (2022)
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J. M. Calabrese, J. Demers, How optimal allocation of limited testing capacity changes epidemic dynamics. Journal of Theoretical Biology, Volume 538 (2022)
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M. Leinhauser, R. Widera, S. Bastrakov, A. Debus, M. Bussmann, S. Chandrasekaran, Metrics and Design of an Instruction Roofline Model for AMD GPUs. ACM Trans. Parallel Comput. 9, 1, Article 1 (2022)
S. Nikolov, J. Tranchida, K. Ramakrishna, M. Lokamani, A. Cangi & M. A. Wood, Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron. Journal of Materials Science (2022)
I. Göthel, C. Bernert, M. Bussmann, M. Garten, T. Miethlinger, M. Rehwald, K. Zeil, T. Ziegler, T. E Cowan, U. Schramm, Optimized laser ion acceleration at the relativistic critical density surface. Plasma Phys. Control. Fusion in press (2022)
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M. Hecht, I. F. Sbalzarini, Biggs Theorem for Directed Cycles and Topological Invariants of Digraphs, Advances in Pure Mathematics 11, 573-594 (2021)
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H. Abramowicz, U. Acosta, M. Altarelli, et al. Conceptual design report for the LUXE experiment, The European Physical Journal Special Topics volume 230 (2021)
L. Gaus, L. Bischoff, M. Bussmann, et al. Probing ultrafast laser plasma processes inside solids with resonant small-angle x-ray scattering. Phys. Rev. Research 3, 043194 (2021)
I. Silva, C. H. Fleming, M. J. Noonan, J. Alston, C. Folta, W. F. Fagan, J. M. Calabrese, Autocorrelation-informed home range estimation: A review and practical guide. Methods in Ecology and Evolution. 00, 1– 11. (2021)
A. I. Titov, U. Hernandez Acosta, B. Kämpfer, Positron energy distribution in a factorized trident process. Phys. Rev. A 104, 062811 (2021)
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T. Dornheim, J. Vorberger, B. Militzer, Z. Moldabekov, Momentum distribution of the uniform electron gas at finite temperature: Effects of spin polarization. Phys. Rev. E 104, 055206 (2021)
J. P. Couperus Cabadağ, M. Bussmann, et al., Gas-dynamic density downramp injection in a beam-driven plasma wakefield accelerator. Phys. Rev. Research 3, L042005 (2021)
P. Tolias, F. Lucco Castello, T. Dornheim, Integral equation theory based dielectric scheme for strongly coupled electron liquids. J. Chem. Phys. 155, 134115 (2021)
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A. Koehler, R. Pausch, M. Bussmann, J. P. Couperus Cabadağ, A. Debus, J. M. Krämer, S. Schöbel, O. Zarini, U. Schramm, and A. Irman, Restoring betatron phase coherence in a beam-loaded laser-wakefield accelerator. Phys. Rev. Accel. Beams 24, 091302 (2021)
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T. Dornheim, M. Böhme, Z. A. Moldabekov, J. Vorberger, M. Bonitz, Density Response of the Warm Dense Electron Gas beyond Linear Response Theory: Excitation of Harmonics. Phys. Rev. Research 3, 033231 (2021)
T. Dornheim, J. Vorberger, Z. A. Moldabekov, Nonlinear electronic density response of the ferromagnetic uniform electron gas at warm dense matter conditions. Contributions to Plasma Physics, e202100098 (2021)
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E. Hirschmann, M. Butterling, U. Hernandez Acosta, M.O. Liedke, A.G. Attallah, P. Petring, M. Görler, R. Krause-Rehberg and A. Wagner, A new system for real-time data acquisition and pulse parameterization for digital positron annihilation lifetime spectrometers with high repetition rates. JINST 16 P08001 (2021)
K. Voigt, M. Zhang, K. Ramakrishna, A. Amouretti, K. Appel, E. Brambrink, V. Cerantola, D. Chekrygina, T. Döppner, R. W. Falcone, K. Falk, L. B. Fletcher, D. O. Gericke, S. Göde, M. Harmand, N. J. Hartley, S. P. Hau-Riege, L. G. Huang, O. S. Humphries, M. Lokamani, M. Makita, A. Pelka, C. Prescher, A. K. Schuster, M. Šmíd, T. Toncian, J. Vorberger, U. Zastrau, T. R. Preston, and D. Kraus, Demonstration of an x-ray Raman spectroscopy setup to study warm dense carbon at the high energy density instrument of European XFEL. Physics of Plasmas 28, 082701 (2021)
T. Dornheim, Fermion sign problem in path integral Monte Carlo simulations: grand-canonical ensemble. J. Phys. A: Math. Theor. 54 335001 (2021)
S. Ghosh, A. Senapati, A. Mishra, J. Chattopadhyay, S. K. Dana, C. Hens, D. Ghosh, Reservoir computing on epidemic spreading: A case study on COVID-19 cases. Phys. Rev. E 104, 014308 (2021)
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M. Crane, I. Silva, B. M. Marshall, C. T. Strine, Lots of movement, little progress: a review of reptile home range literature. PeerJ 9:e11742 (2021)
N. Ahmadiniaz, M. Bussmann, T. E. Cowan, A. Debus, T. Kluge, and R. Schützhold, Observability of Coulomb-assisted quantum vacuum birefringence. Phys. Rev. D 104, L011902 (2021)
W. Eschen, S. Wang, C. Liu, R. Klas, M. Steinert, S. Yulin, H. Meißner, M. Bussmann, T. Pertsch, J. Limpert & J. Rothhardt, Towards attosecond imaging at the nanoscale using broadband holography-assisted coherent imaging in the extreme ultraviolet. Communications Physics volume 4, 154 (2021)
J. A. Ellis, L. Fiedler, G. A. Popoola, N. A. Modine, J. A. Stephens, A. P. Thompson, A. Cangi, and S. Rajamanickam, Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks. Phys. Rev. B 104, 035120 (2021)
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T. Dornheim, M. Böhme, B. Militzer, J. Vorberger, Ab initio path integral Monte Carlo approach to the momentum distribution of the uniform electron gas at finite temperature without fixed nodes. Phys. Rev. B 103, 205142 (2021)
K. Hunger, T. Schoof, T. Dornheim, M. Bonitz, and A. Filinov: Momentum distribution function and short-range correlations of the warm dense electron gas: Ab initio quantum Monte Carlo results. Phys. Rev. E 103, 053204 (2021)
A. Senapati, S. Rana, T. Das, J. Chattopadhyay: Impact of intervention on the spread of COVID-19 in India: A model based study. J. of Theoretical Biology
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G. Massacrier, M. Böhme, J. Vorberger, F. Soubiran, and B. Militzer: Reconciling ionization energies and band gaps of warm dense matter derived with ab initio simulations and average atom models. Phys. Rev. Research 3, 023026 (2021)
T. Dornheim, Z. A. Moldabekov, A. Cangi: A Machine-Learning Surrogate Model for ab initio Electronic Correlations at Extreme Conditions, accepted at the Deep Learning for Simulation (simDL) Workshop (2021)
M. J. Noonan, R. Martinez‐Garcia, G. H. Davis, C. H. Fleming, J. M. Calabrese et al.: Estimating encounter location distributions from animal tracking data. Methods Ecol Evol. (2021)
T. Dornheim, Z. A. Moldabekov, and P. Tolias:Analytical representation of the local field correction of the uniform electron gas within the effective static approximation. Phys. Rev. B 103, 165102 (2021)
C. Arshadi, U. Günther, M. Eddison, K. Harrington, T. Ferreira: SNT: A Unifying Toolbox for Quantification of Neuronal Anatomy. Nature Methods (2021)
K. Ramakrishna, A. Cangi, T. Dornheim, A. Baczewski, J. Vorberger: First-principles modeling of plasmons in aluminum under ambient and extreme conditions. Physical Review B 103, 125118 (2021)
J. Nikl, I. Göthel, M. Kuchařík, S. Weber, M. Bussmann: Implicit reduced Vlasov–Fokker–Planck–Maxwell model based on high-order mixed elements. Journal of Computational Physics. Volume 434, 110214 (2021)
J. M. Calabrese, C. H. Fleming, M. J. Noonan, X. Dong: ctmmweb: A graphical user interface for Autocorrelation-Informed home range estimation. Wildlife Society Bulletin (2021)
T. S. M. Stratmann, N. Dejid, J. M. Calabrese, W. F. Fagan, C. H. Fleming, K. A. Olson, T. Mueller: Resource selection of a nomadic ungulate in a dynamic landscape. PLoS ONE 16(2): e0246809 (2021)
Z. A. Moldabekov, T. Dornheim, M.Bonitz: Screening of a test charge in a free‐electron gas at warm dense matter and dense non‐ideal plasma conditions. Contributions to Plasma Physics (2021)
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- 2020
P. Stiller, F. Bethke, M. Böhme, R. Pausch, S. Torge, A. Debus, J. Vorberger, M. Bussmann, N. Hoffmann: Large-Scale Neural Solvers for Partial Differential Equations. Communications in Computer and Information Science, vol 1315 (2020)
R. W. Assmann, M. H. Bussmann, M. K. Weikum, A. Zigler et al.: EuPRAXIA Conceptual Design Report. The European Physical Journal Special Topics volume 229, 3675–4284 (2020)
U. Hernandez Acosta, A. Otto, B. Kämpfer, A.I. Titov: Nonperturbative signatures of nonlinear Compton scattering. Physical Review D 102, 116016 (2020)
A. Gupta, P. Incardona, A. D. Aydin, S. Gumhold, U. Günther, and I. F. Sbalzarini (2020): An Architecture for Interactive In Situ Visualization and its Transparent Implementation in Open FPM. InISAV’20 In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization (ISAV’20), November 12, 2020, Atlanta, GA, USA
T. Dornheim, M. Invernizzi, J. Vorberger, and B. Hirshberg: Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration. Journal of Chemical Physics 153, 234104 (2020)
T. Dornheim and J. Vorberger: Finite-size effects in the reconstruction of dynamic properties from ab initio path integral Monte Carlo simulations. Physical Review E 102, 063301 (2020)
T. Dornheim, A. Cangi, K. Ramakrishna, M. Böhme, S. Tanaka, and J. Vorberger: Effective Static Approximation: A Fast and Reliable Tool for Warm-Dense Matter Theory. Physical Review Letters 125, 235001 (2020)
P. Hamann, T. Dornheim, J. Vorberger, Z. A. Moldabekov, M. Bonitz: Dynamic properties of the warm dense electron gas based on ab initio path integral Monte Carlo simulations. Physical Review B 102, 125150 (2020) / arXiv
A. Yilmaz, K. Hunger, T. Dornheim, S. Groth, M. Bonitz: Restricted configuration path integral Monte Carlo. The Journal of Chemical Physics 153, 124114 (2020). / arXiv
P. Hamann, J. Vorberger, T. Dornheim, Z. Moldabekov, M. Bonitz: Ab initio results for the plasmon dispersion and damping of the warm dense electron gas. Contributions to Plasma Physics (2020) / arXiv
T. Dornheim, Jan Vorberger, Michael Bonitz: Nonlinear Electronic Density Response in Warm Dense Matter. Physical Review Letters 125, 085001 (2020) / arXiv
T. Dornheim: Path Integral Monte Carlo Simulations of Quantum Dipole Systems in Traps: Superfluidity, Quantum Statistics, and Structural Properties. Physical Review A 102, 023307 (2020)
N. Mukharamova, S. Lazarev, J.-M. Meijer, O. Y. Gorobtsov, A. Singer, M. Chollet, M. Bussmann, D. Dzhigaev, Y. Feng, M. Garten, A. Huebl, T. Kluge, R. P. Kurta, V. Lipp, R. Santra, M. Sikorski, S. Song, G. Williams, D. Zhu, B. Ziaja-Motyka, T. E. Cowan, A. V. Petukhov & I. A. Vartanyants: Femtosecond laser produced periodic plasma in a colloidal crystal probed by XFEL radiation. Scientific Reports 10, 10780 (2020)
U. Günther, K. I. S. Harrington: Tales from the Trenches: Developing sciview, a new 3D viewer for the ImageJ community. VisGap Workshop at Eurographics & Eurovis 2020 / arXiv / talk
R. Martinez-Garcia, C. H. Fleming, R. Seppelt, W. F. Fagan, J. M. Calabrese: How range residency and long-range perception change encounter rates. Journal of Theoretical Biology 498, 110267 (2020)
T. Dornheim, Zh. A. Moldabekov, J. Vorberger, and S. Groth: Ab initio path integral Monte Carlo simulation of the uniform electron gas in the high energy density regime. Plasma Physics and Controlled Fusion 62/7 (2020)
K. Ramakrishna, T. Dornheim, and J. Vorberger: Influence of finite temperature exchange-correlation effects in hydrogen. Physical Review B 101, 195129 (2020)
Zh. A. Moldabekov, T. Dornheim, M. Bonitz, and T. S. Ramazanov: Ion energy-loss characteristics and friction in a free-electron gas at warm dense matter and nonideal dense plasma conditions. Physical Review E 101, 053203 (2020)
M. Bonitz, T. Dornheim, Zh. A. Moldabekov, S. Zhang, P. Hamann, H. Kählert, A. Filinov, K. Ramakrishna, and J. Vorberger: Ab initio simulation of warm dense matter. Physics of Plasmas 27, 042710 (2020)
T. Dornheim, T. Sjostrom, S. Tanaka, and J. Vorberger, Strongly coupled electron liquid: Ab initio path integral Monte Carlo simulations and dielectric theories, Physical Review B 101, 045129 (2020)
- 2019
T. Dornheim, S. Groth, A. Filinov, and M. Bonitz, Path integral Monte Carlo simulation of degenerate electrons: Permutation-cycle properties, Journal of Chemical Physics 151, 014108 (2019)
S. Groth, T. Dornheim, and J. Vorberger, Ab initio path integral Monte Carlo approach to the static and dynamic density response of the uniform electron gas, Physical Review B 99, 235122 (2019)
T. Dornheim, The Fermion Sign Problem in Path Integral Monte Carlo Simulations: Quantum Dots, Ultracold Atoms, and Warm Dense Matter, Physical Review E 100, 023307 (2019)
T. Dornheim, J. Vorberger, S. Groth, N. Hoffmann, Zh.A. Moldabekov, and M. Bonitz, The Static Local Field Correction of the Warm Dense Electron Gas: An ab Initio Path Integral Monte Carlo Study and Machine Learning Representation, Journal of Chemical Physics 151, 194104 (2019)
U. Günther, T. Pietzsch, A. Gupta, K. I.S. Harrington, P. Tomancak, S. Gumhold, I. F. Sbalzarini: Scenery: Flexible Virtual Reality Visualization on the Java VM, IEEE VIS 2019, Vancouver / arXiv / code / conference talk
Pre-prints
- 2024
Jan Vorberger, Tobias Dornheim, Maximilian P. Böhme, Zhandos Moldabekov, Panagiotis Tolias Green’s function perspective on the nonlinear density response of quantum many-body systems. arXiv
Kushal Ramakrishna, Mani Lokamani, Attila Cangi Electrical Conductivity of Warm Dense Hydrogen from Ohm’s Law and Time-Dependent Density Functional Theory. arXiv
Zhandos A. Moldabekov, Xuecheng Shao, Michele Pavanello, Jan Vorberger, Tobias Dornheim Nonlocal vs Local Pseudopotentials Affect Kinetic Energy Kernels in Orbital-Free DFT. arXiv
Benjamin Garcia de Figueiredo, Justin M. Calabrese, William F. Fagan, Ricardo Martinez-Garcia The structure of inter-reaction times in reaction-diffusion processes and consequences for counting statistics. arXiv
T. Dornheim, H. M. Bellenbaum, M. Bethkenhagen, S. B. Hansen, M. P. Böhme, T. Döppner, L. B. Fletcher, T. Gawne, D. O. Gericke, S. Hamel, D. Kraus, M. J. MacDonald, Z. A. Moldabekov, T. R. Preston, R. Redmer, M. Schörner, S. Schwalbe, P. Tolias, J. Vorberger Model-free Rayleigh weight from x-ray Thomson scattering measurements. arXiv
Nathan O. Silvano, João Valeriano, Emilio Hernández-García, Cristóbal López, Ricardo Martinez-Garcia Shear and transport in a flow environment determine spatial patterns and population dynamics in a model of nonlocal ecological competition. arXiv
Maria Wyrzykowska, Gabriel della Maggiora, Nikita Deshpande, Ashkan Mokarian, Artur Yakimovich A Benchmark for Virus Infection Reporter Virtual Staining in Fluorescence and Brightfield Microscopy.bioRxiv
Tsai-Jung Liu, Florian M. Arnold, Alireza Ghasemifard, Qing-Long Liu, Dorothea Golze, Agnieszka Kuc, Thomas Heine Electronic Structure and Topology in Gulf-edged Zigzag Graphene Nanoribbons.arXiv
Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov, Jan Vorberger Short wavelength limit of the dynamic Matsubara local field correction. arXiv
Trina De, Vardan Andriasyan, Artur Yakimovich PyPlaque: an Open-source Python Package for Phenotypic Analysis of Virus Plaque Assays. bioRxiv
Rui Li, Artsemi Yushkevich, Xiaofeng Chu, Mikhail Kudryashev, Artur Yakimovich Denoising, Deblurring, and optical Deconvolution for cryo-ET and light microscopy with a physics-informed deep neural network DeBCR. bioRxiv
Karan Shah, Attila Cangi Accelerating Electron Dynamics Simulations through Machine Learned Time Propagators. arXiv
Pontus Svensson, Yusuf Aziz, Tobias Dornheim, Sam Azadi, Patrick Hollebon, Amy Skelt, Sam M. Vinko, Gianluca Gregori Modelling of warm dense hydrogen via explicit real time electron dynamics: Dynamic structure factors. arXiv
D. Pinto-Ramos, M. G. Clerc, A. Makhoute, M. Tlidi Vegetation clustering and self-organization in inhomogeneous environments. arXiv
Rui Li, Mikhail Kudryashev, Artur Yakimovich Solving the inverse problem of microscopy deconvolution with a residual Beylkin-Coifman-Rokhlin neural network. arXiv
Tobias Dornheim, Zhandos Moldabekov, Sebastian Schwalbe, Jan Vorberger Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter. arXiv
Thomas Gawne, Hannah Bellenbaum, Luke B. Fletcher, Karen Appel, Carsten Baehtz, Victorien Bouffetier, Erik Brambrink, Danielle Brown, Attila Cangi, Adrien Descamps, Sebastian Göde, Nicholas J. Hartley, Marie-Luise Herbert, Philipp Hesselbach, Hauke Höppner, Oliver S. Humphries, Zuzana Konôpková, Alejandro Laso, Björn Lindqvist, Julian Lütgert, Michael J. MacDonald, Mikako Makita, Willow Martin, Mikhail Mishchenko, Zhandos A. Moldabekov, Motoaki Nakatsutsumi, Jean-Paul Naedler, Paul Neumayer, Alexander Pelka, Chongbing Qu, Lisa Randolph, Johannes Rips, Toma Toncian, Jan Vorberger, Lennart Wollenweber, Ulf Zastrau, Dominik Kraus, Thomas R. Preston, Tobias Dornheim Effects of Mosaic Crystal Instrument Functions on X-ray Thomson Scattering Diagnostics. arXiv
Z. Moldabekov, J. Vorberger, T. Dornheim From Density Response to Energy Functionals and Back: An ab initio perspective on Matter Under Extreme Conditions. arXiv
Sebastian Schwalbe, Wanja Timm Schulze, Kai Trepte, Susi Lehtola Ensemble Generalization of the Perdew-Zunger Self-Interaction Correction: a Way Out of Multiple Minima and Symmetry Breaking. arXiv
N. Ahmadiniaz, C. Bähtz, A. Benediktovitch, C. Bömer, L. Bocklage, T. E. Cowan, J. Edwards, S. Evans, S. Franchino Viñas, H. Gies, S. Göde, J. Görs, J. Grenzer, U. Hernandez Acosta, T. Heinzl, P. Hilz, W. Hippler, L. G. Huang, O. Humphries, F. Karbstein, P. Khademi, B. King, T. Kluge, C. Kohlfürst, D. Krebs, A. Laso-García, R. Lötzsch, A. J. Macleod, B. Marx-Glowna, E. A. Mosman, M. Nakatsutsumi, G. G. Paulus, S. V. Rahul, L. Randolph, R. Röhlsberger, N. Rohringer, A. Sävert, S. Sadashivaiah, R. Sauerbrey, H.-P. Schlenvoigt, S. M. Schmidt, U. Schramm, R. Schützhold, J.-P. Schwinkendorf, D. Seipt, M. Šmíd, T. Stöhlker, T. Toncian, M. Valialshchikov, A. Wipf, U. Zastrau, M. Zepf Letter of Intent: Towards a Vacuum Birefringence Experiment at the Helmholtz International Beamline for Extreme Fields. arXiv
Tobias Dornheim, Panagiotis Tolias, Jan Vorberger, Zhandos Moldabekov Quantum delocalization, structural order, and density response of the strongly coupled electron liquid. arXiv
M. Bonitz, J. Vorberger, M. Bethkenhagen, M. Böhme, D. Ceperley, A. Filinov, T. Gawne, F. Graziani, G. Gregori, P. Hamann, S. Hansen, M. Holzmann, S.X. Hu, H. Kählert, V. Karasiev, U. Kleinschmidt, L. Kordts, C. Makait, B. Militzer, Z. Moldabekov, C. Pierleoni, M. Preising, K. Ramakrishna, R. Redmer, S. Schwalbe, P. Svensson, T. Dornheim Frontiers of Computational Quantum Many-Body Theory. arXiv
Tobias Dornheim, Panagiotis Tolias, Fotios Kalkavouras, Zhandos Moldabekov, Jan Vorberger Dynamic exchange-correlation effects in the strongly coupled electron liquid. arXiv
Panagiotis Tolias, Fotios Kalkavouras, Tobias Dornheim, Fourier-Matsubara series expansion for imaginary-time correlation functions. arXiv
Uwe Hernandez Acosta, Burkhard Kämpfer, Note on Klein-Nishina effect in strong-field QED: the case of nonlinear Compton scattering. arXiv
Zhandos Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim Ultrafast Heating Induced Suppression of d-band Dominance in the Electronic Excitation Spectrum of Cuprum. arXiv
Gentian Zavalani, Michael Hecht, High-order numerical integration on regular embedded surfaces. arXiv
Janina Schreiber, Pau Batlle, Damar Wicaksono, Michael Hecht, PMBO: Enhancing Black-Box Optimization through Multivariate Polynomial Surrogates.arXiv
Tobias Dornheim, Sebastian Schwalbe, Panagiotis Tolias, Maximilan Böhme, Zhandos Moldabekov, Jan Vorberger, Ab initio Density Response and Local Field Factor of Warm Dense Hydrogen.arxiv
Yingying Zhang, Shuangjie Zhao, Miroslav Položij, Thomas Heine, Electronic Lieb lattice signatures embedded in two-dimensional polymers with square lattice. arXiv
T. Gawne, Zhandos A. Moldabekov, O. S. Humphries, K. Appel, C. Bähtz, V.Bouffetier, E.Brambrink, Attila Cangi, S. Göde, Z.Konôpková, M. Makita, M.Mishchenko, M. Nakatsutsumi, K. Ramakrishna, L.Randolph, Sebastian Schwalbe, Jan Vorberger, L. Wollenweber, U.Zastrau, Tobias Dornheim, T.R. Preston Ultrahigh Resolution X-ray Thomson Scattering Measurements of Electronic Structures. arXiv
Tobias Dornheim, Sebastian Schwalbe, Maximilian Böhme, Zhandos Moldabekov, Jan Vorberger, Panagiotis Tolias, Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: structural properties. arXiv
Tobias Dornheim, Tilo Döppner, Panagiotis Tolias, Maximilian Böhme, Luke Fletcher, Thomas Gawne, Frank Graziani, Dominik Kraus, Michael MacDonald, Zhandos Moldabekov, Sebastian Schwalbe, Dirk Gericke, Jan Vorberger, Unraveling electronic correlations in warm dense quantum plasmas. arXiv
Zhandos A. Moldabekov, Thomas D. Gawne, Sebastian Schwalbe, Thomas R. Preston, Jan Vorberger, Tobias Dornheim, Excitation signatures of isochorically heated electrons in solids at finite wavenumber explored from first principles. arXiv
Xiaoming Fu, Kai Fan, Heinrich Zozmann, Lennart Schüler, Justin M. Calabrese, Simultaneous Identification of Changepoints and Model Parameters in Switching Dynamical Systems. bioRxiv
Panagiotis Tolias, Federico Lucco Castello, Fotios Kalkavouras, Tobias Dornheim, Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid. arXiv
- 2023
Vincent Martinetto, Karan Shah, Attila Cangi, Aurora Pribram-Jones, Inverting the Kohn-Sham equations with physics-informed machine learning. arXiv
Gabriel della Maggiora, Luis Alberto Croquevielle, Nikita Deshpande, Harry Horsley, Thomas Heinis, Artur Yakimovich Conditional Variational Diffusion Models. arXiv
Mansoor Davoodi, Justin M. Calabrese, Test Center Location Problem: A bi-objective Model and Algorithms. arXiv
Gentian Zavalani, Oliver Sander, Michael Hecht, High-Order Integration on regular triangulated manifolds reaches Super-Algebraic Approximation Rates through Cubical Re-parameterizations. arXiv
Jeffery Demers, William F Fagan, Sriya Potluri, Justin M Calabrese, Testing-isolation interventions will likely be insufficient to contain future novel disease outbreaks. medRxiv
Svetoslav Nikolov, Kushal Ramakrishna, Andrew Rohskopf, Mani Lokamani, Julien Tranchida, John Carpenter, Attila Cangi, Mitchell A. Wood, Probing Iron in Earth’s Core With Molecular-Spin Dynamics. arXiv
Tobias Dornheim, Sebastian Schwalbe, Zhandos Moldabekov, Jan Vorberger, Panagiotis Tolias, Ab initio path integral Monte Carlo simulations of the uniform electron gas on large length scales. arXiv
Eduardo H. Colombo, Ricardo Martinez-Garcia, Justin M. Calabrese, Cristóbal López, Emilio Hernández-García, Pulsed interactions unify reaction-diffusion and spatial nonlocal models for biological pattern formation. arXiv
Hossein Tahmasbi, Kushal Ramakrishna, Mani Lokamani, Attila Cangi, Machine Learning-Driven Structure Prediction for Iron Hydrides. arXiv
Gerd Röpke, Tobias Dornheim, Jan Vorberger, David Blaschke, Biplab Mahato, Virial coefficients of the Uniform Electron Gas from Path Integral Monte Carlo Simulations. arXiv
Pia Hanfeld, Khaled Wahba, Marina M.-C. Höhne, Michael Bussmann, Wolfgang Hönig, Kidnapping Deep Learning-based Multirotors using Optimized Flying Adversarial Patches. arXiv
Maxim Eingorn, Ezgi Yilmaz, A. Emrah Yükselci, Alexander Zhuk, Mass density vs. energy density at cosmological scales. arXiv
Chethan Krishnamurthy Ramanaik, Juan-Esteban Suarez Cardona, Anna Willmann, Pia Hanfeld, Nico Hoffmann, Michael Hecht, Ensuring Toplogical Data-Structure Preservation under Autoencoder Compression due to Latent Space Regularization in Gauss–Legendre nodes. arXiv
Janina Schreiber, Damar Wicaksono, Michael Hecht, Polynomial-Model-Based Optimization for Blackbox Objectives. arXiv
Justin M Calabrese, Lennart Schueler, Xiaoming Fu, Erik Gawel, Heinrich Zozmann, Jan Bumberger, Martin Quaas, Gerome Wolf, Sabine Attinger A novel, scenario-based approach to comparing non-pharmaceutical intervention strategies across nations. medrxiv
Z. Moldabekov, S.Schwalbe, M. Böhme, J. Vorberger, X. Shao, M. Pavanello, F. Graziani, T. Dornheim Bound state breaking and the importance of thermal exchange-correlation effects in warm dense hydrogen. arXiv
T. Dornheim, P. Tolias, S. Groth, Z. Moldabekov, J. Vorberger, B. Hirshberg, Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles. arXiv
Sruthil Lal S.B, Lokamani, Kushal Ramakrishna, Attila Cangi, D Murali, Matthias Posselt, Assa Aravindh Sasikala Devi, Alok Sharan Ab initio insights on the ultrafast strong-field dynamics of anatase TiO2, arXiv
I. Silva, C. H. Fleming, M. J. Noonan, W. F. Fagan, J. M. Calabrese, movedesign: Shiny R app to evaluate sampling design for animal tracking movement studies. bioRxiv
E. Ser-Giacomi, R. Martinez-Garcia, S. Dutkiewicz, M. J. Follows, A Lagrangian model for drifting ecosystems reveals heterogeneity-driven enhancement of marine plankton blooms. arXiv
T. W. Hentschel, A. Kononov, A. Olmstead, A. Cangi, A. D. Baczewski, S. B. Hansen, Improving dynamic collision frequencies: impacts on dynamic structure factors and stopping powers in warm dense matter. arXiv
D. Konar, S. Bhattacharyya, T. K. Gandhi, B. K. Panigrahi, R. Jiang, 3D Quantum-inspired Self-supervised Tensor Network for Volumetric Segmentation of Medical Images. techrXiv
T. Dornheim, D. C. Wicaksono, J. E. Suarez-Cardona, P. Tolias, M. Böhme, Z. Moldabekov, M. Hecht, J. Vorberger, Extraction of the frequency moments of spectral densities from imaginary-time correlation function data. arXiv
R. Li, M. Kudryashev, A. Yakimovich, A weak-labelling and deep learning approach for infocus object segmentation in 3D widefield microscopy. ResearchSquare
M. Eingorn, B. O’Briant, A. Diouf, A. Zhuk, Backreaction in cosmic screening approach. arXiv
R. Tripathi, A. Reza, G. Su, A. Mertel, J. M. Calabrese, A network based approach to identifying correlations between phylogeny, morphological traits and occurrence information of fish Species in US river basins. bioRxiv
J. E. Suarez-Cardona, P. A. Hofmann, M. Hecht, Learning Partial Differential Equations by Spectral Approximates of General Sobolev Spaces. arXiv
M. Davoodi, A. Batista, A. Senapati, J. M. Calabrese, Personnel Scheduling and Testing Strategy during Pandemics: The case of COVID-19. arXiv
R. Martinez-Garcia, J. M. Calabrese, C. H. Fleming, et al., The search behavior of terrestrial mammals. bioRxiv
- 2022
J. E. Suarez-Cardona, M. Hecht, Replacing Automatic Differentiation by Sobolev Cubatures fastens Physics Informed Neural Nets and strengthens their Approximation Power. arXiv
S. K. Thekke Veettil, Y. Zheng, U. Hernandez Acosta, D. Wicaksono, M. Hecht, Multivariate Polynomial Regression of Euclidean Degree Extends the Stability for Fast Approximations of Trefethen Functions. arXiv
S. Thekke Veettil, G. Zavalani, U. Hernandez Acosta, I. F. Sbalzarini, M. Hecht, Global Polynomial Level Sets for Numerical Differential Geometry of Smooth Closed Surfaces, in review, arXiv
T. Dornheim, M. Böhme, D. Chapman, D. Kraus, T. R. Preston, Z. Moldabekov, N. Schlünzen, A. Cangi, T. Döppner, J. Vorberger, Temperature analysis of X-ray Thomson scattering data. arXiv
T. Dornheim, Z. Moldabekov, K. Ramakrishna, P. Tolias, A. D. Baczewski, D. Kraus, T. R. Preston, D. A. Chapman, M. Böhme, T. Döppner, F. Graziani, M. Bonitz, A. Cangi, J. Vorberger, Electronic Density Response of Warm Dense Matter. arXiv
S. Darapu, S. Ghosh, A. Senapati, C. Hens, S. Nannuru, Identifying influential pandemic regions using graph signal variation. arXiv
L. Hyman, I. F. Sbalzarini, S. Quake, U. Günther, Corvo: Visualizing CellxGene Single-Cell Datasets in Virtual Reality. arXiv
Z. A. Moldabekov, M. Lokamani, J. Vorberger, A. Cangi, T. Dornheim, Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel. arXiv
A. C. Batista German, A. Senapati, M. Davoodi, J. M. Calabrese, Personnel Staffing and Scheduling During Disease Outbreaks: A Contact Network-Based Analysis. SSRN
Z. A. Moldabekov, M. Lokamani, J. Vorberger, A. Cangi, T. Dornheim, Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons. arXiv
P. Svensson, T. Campbell, F. Graziani, Z. Moldabekov, N. Lyu, S. Richardson, S. M. Vinko, G. Gregori, Development of a new quantum trajectory molecular dynamics framework. arXiv
A. Senapati, A. Mertel, W. Schlechte-Welnicz, J. M. Calabrese, Estimating cross-border mobility from the difference in peak-timing: A case study in Poland-Germany border regions. arXiv
J. Demers, W. F. Fagan, S. Potluri, J. M. Calabrese, The relationship between controllability, optimal testing resource allocation, and incubation-latent period mismatch as revealed by COVID-19. arXiv
T. Dornheim, J. Vorberger, Z. Moldabekov, M. Böhme, Analyzing X-ray Thomson scattering experiments of warm dense matter in the imaginary-time domain: theoretical models and simulations. arXiv
L. Fiedler, N. A. Modine, S. Schmerler, D. J. Vogel, G. A. Popoola, A. P. Thompson, S. Rajamanickam, A. Cangi, Predicting the Electronic Structure of Matter on Ultra-Large Scales. arXiv
K. Ramakrishna, M. Lokamani, A. Baczewski, J. Vorberger, A. Cangi, Electrical and Thermal Conductivity of High-Pressure Solid Iron. arXiv
K. Shah, P. Stiller, N. Hoffmann, A. Cangi, Physics-Informed Neural Networks as Solvers for the Time-Dependent Schrödinger Equation. arXiv
S. Bhattacharyya, S. De, L. Mrsic, I. Pan, K. Muhammad, A. Mukherjee, D. Konar, A Quantitative Assessment of Rubrics Using a Soft Computing Approach. Preprints
J. M. Alston, I. Silva, J. M. Calabrese, et al. Clarifying space use concepts in ecology: range vs. occurrence distributions. bioRxiv
W. Elwasif, S. Bastrakov, S. H. Bryngelson, M. Bussmann, S. Chandrasekaran, J. Stephan, et al. Early Application Experiences on a Modern GPU-Accelerated Arm-based HPC Platform. arXiv
T. Dornheim, Z. A. Moldabekov, P. Tolias, M. Böhme, J. Vorberger, Physical insights from imaginary-time density–density correlation functions. arXiv
Z. A. Moldabekov, M. Böhme, J. Vorberger, D. Blaschke, T. Dornheim, Ab initio Computation of the Static Exchange–Correlation Kernel of Real Materials: From Ambient Conditions to Warm Dense Matter. arXiv
W. Abdussalam, A. Mertel, K. Fan, L. Schüler, W. Schlechte-Wełnicz, J. M. Calabrese, A scalable pipeline for COVID-19: the case study of Germany, Czechia and Poland. arXiv
M. Böhme, Z. A. Moldabekov, J. Vorberger, T. Dornheim, Ab initio path integral Monte Carlo simulations of hydrogen snapshots at warm dense matter conditions. arXiv
A. Gupta, P. Incardona, P. Hunt, G. Reina, S. Frey, S. Gumhold, U. Günther, I. F. Sbalzarini, Content-adaptive generation and parallel compositing of volumetric depth images for responsive visualization of large volume data. arXiv
T. Dornheim, M. Böhme, D. Kraus, T. Döppner, T. Preston, Z. Moldabekov, J. Vorberger, Accurate Temperature Diagnostics for Matter under Extreme Conditions. arXiv
A. Gupta, U. Günther, P. Incardona, G. Reina, S. Frey, S. Gumhold, I. F. Sbalzarini, Efficient Raycasting of View-Dependent Piecewise Constant Representations of Volumetric Data. arXiv
L. Fiedler, Z. A. Moldabekov, X. Shao, K. Jiang, T. Dornheim, M. Pavanello, A. Cangi, Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory. arXiv
T. Callow, D. Kotik, E. Kraisler, A. Cangi, AtoMEC: an open-source average-atom Python code. arXiv
M. Schörner, B. B. L. Witte, A. D. Baczewski, A. Cangi, R. Redmer, An \textit{ab initio} study of shock-compressed copper. arXiv
T. Dornheim, J. Vorberger, Z. Moldabekov, P. Tolias, Spin-resolved density response of the warm dense electron gas. arXiv
T. Dornheim, P. Tolias, Z. Moldabekov, A. Cangi, J. Vorberger, Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations. arXiv
D. R. Vemula, D. Konar, S. Satheesan, S. M. Kalidasu, A. Cangi, A Scalable 5,6-Qubit Grover’s Quantum Search Algorithm. arXiv
J. M. Alston, C. H. Fleming, R. Kays, J. P. Streicher, C. T. Downs, T. Ramesh, J. M. Calabrese, Mitigating pseudoreplication and bias in resource selection functions with autocorrelation-informed weighting. bioRxiv
M. Davoodi, A. Batista, A. Senapati, W. Schlechte-Welnicz, B. Wagner, J. M. Calabrese, Modeling COVID-19 optimal testing strategies in long-term care facilities: An optimization-based approach. arXiv
M. Davoodi, A. Senapati, A. Mertel, W. Schlechte-Welnicz, J. M. Calabrese, Optimal Workplace Occupancy Strategies during the COVID-19 Pandemic. arXiv
T. Dornheim, Z. Moldabekov, J. Vorberger, H. Kählert, M. Bonitz, Electronic pair alignment and roton feature in the warm dense electron gas. arXiv
K. Ramakrishna, M. Lokamani, A. Baczewski, J. Vorberger, A. Cangi, Electrical Conductivity of Iron in Earth’s Core from Microscopic Ohm’s Law. arXiv
T. Callow, E. Kraisler, A. Cangi, Accurate and efficient computation of mean ionization states with an average-atom Kubo-Greenwood approach. arXiv
G. Su, A. Mertel, S. Brosse, J. M. Calabrese, Species invasiveness and community invasibility of US freshwater fish fauna revealed via trait-based analysis. bioRxiv
M. Böhme, Z. Moldabekov, J. Vorberger, T. Dornheim, Electronic Density Response of Warm Dense Hydrogen: Ab initio Path Integral Monte Carlo Simulations. arXiv
D. Konar, E. Gelenbe, S. Bhandary, A. Das Sarma, A. Cangi, Random Quantum Neural Networks (RQNN) for Noisy Image Recognition. arXiv
A. Mertel, J. Vyskočil, L. Schüler, W. Schlechte-Wełnicz, J. M. Calabrese, Fine-scale variation in the effect of national border on COVID-19 spread: A case study of the Saxon-Czech border region. medRxiv
T. Dornheim, J. Vorberger, Z. Moldabekov, G. Röpke, W. Kraeft, The uniform electron gas at high temperatures: \emph{ab initio} path integral Monte Carlo simulations and analytical theory. arXiv
Z. Moldabekov, J. Vorberger, T. Dornheim, Density-Functional-Theory Perspective on the Non-Linear Response of Correlated Electrons Across Temperature Regimes. arXiv
T. Dornheim, Abnormal superfluid fraction and structural properties of electrons in 2D and 3D quantum dots: an ab initio path-integral Monte Carlo study. arXiv
- 2021
T. Dornheim, P. Tolias, S. Groth, Z. Moldabekov, J. Vorberger, B. Hirshberg, Fermionic physics from ab initio path integral Monte Carlo simulations of fictitious identical particles. arXiv
T. Dornheim, J. Vorberger, Z. A. Moldabekov, M. Bonitz, Nonlinear electronic density response of the warm dense electron gas: multiple perturbations and mode coupling. arXiv
S. Müller, L. Schüler, A. Zech, F. Heße, GSTools v1.3: A toolbox for geostatistical modelling in Python. gmd
M. Roy, A. Senapati, S. Poria, A. Mishra, C. Hens, Role of assortativity in predicting burst synchronization using echo state network. arXiv
I. Silva, J. M. Calabrese, Emerging opportunities for wildlife with sustainable autonomous transportation. EcoEvoRxiv
A.I. Titov, U. Hernandez Acosta, B. Kampfer, Positron energy distribution in factorized trident process. arXiv
Y. Montano, B. M. Marshall, M. Ward, I. Silva, T. Artchawakom, S. Waengsothorn, C. Strine, A stable home: Autocorrelated Kernel Density Estimated home ranges of the critically endangered Elongated Tortoise. OSF
J. M. Alston, D. A. Keinath, C. K. R. Willis, C.L. Lausen, J. M. O’Keefe, J. D. Tyburec, H. G. Broders, P. R. Moosman, T. C. Carter, C. L. Chambers, E. H. Gillam, K. Geluso, T. J. Weller, D. W. Burles, Q. E. Fletcher, K. J. O. Norquay, J. R. Goheen, Environmental drivers of body size in North American bats. arXiv
F. Pöschel, J. E, W. F. Godoy, N. Podhorszki, S. Klasky, G. Eisenhauer, P. E. Davis, L. Wan, A. Gainaru, J. Gu, F. Koller, R. Widera, M. Bussmann, A. Huebl, Transitioning from file-based HPC workflows to streaming data pipelines with openPMD and ADIOS2. arXiv
N. Kumar, P. Hanfeld, M. Hecht, M. Bussmann, S. Gumhold, N. Hoffmannn, InFlow: Robust outlier detection utilizing Normalizing Flows. arXiv
B. M. Gruber, G. Amadio, J. Blomer, A. Matthes, R. Widera, M. Bussmann, LLAMA: The Low Level Abstraction For Memory Access. arXiv
Z. Moldabekov, T. Dornheim, G. Gregori, F. Graziani, M. Bonitz, A. Cangi, The Quantum Bohm Potential for Many-Fermion Systems. arXiv
J. L. Brunner, J. M. Calabrese, Modelling the probability of detecting mass mortality events. bioRxiv
R. Martinez-Garcia, C. Cabal, J. A. Bonachela, J. M. Calabrese, E. Hernández-García, C. López, C. E. Tarnita: Spatial self-organization of vegetation in water-limited systems: mechanistic causes, empirical tests, and ecosystem-level consequences. arXiv
Z. Moldabekov, T. Dornheim, M. Bonitz: Screening of a test charge in a free-electron gas at warm dense matter and dense non-ideal plasma conditions. arXiv
C. H. Fleming, J. Drescher-Lehman, M. J. Noonan, T. S. B. Akre, D. J. Brown, M. M. Cochrane, N. Dejid, V. DeNicola, C. S. DePerno, J. N. Dunlop, N. P. Gould, J. Hollins, H. Ishii, Y. Kaneko, R. Kays, S. S. Killen, B. Koeck, S. A. Lambertucci, S. D. LaPoint, E. P. Medici, B.-U. Meyburg, T. A. Miller, R. A. Moen, T. Mueller, T. Pfeiffer, K. N. Pike, A. Roulin, K. Safi, R. Séchaud, A. K. Scharf, J. M. Shephard, J. A. Stabach, K. Stein, C. M. Tonra, K. Yamazaki, W. F. Fagan, J. M. Calabrese: A comprehensive framework for handling location error in animal tracking data. DOI: 10.1101/2020.06.12.130195 / bioRxiv
Scientific and public talks
- 2024
- 2023
W. Elwasif, W. Godoy, N. Hagerty, J. Austin Harris, O. Hernandez, B. Joo, P. Kent, D. Lebrun-Grandie, E. Maccarthy, V. Melesse Vergara, B. Messer, R. Miller, S. Oral, S. Bastrakov, M. Bussmann, A. Debus, K. Steiniger, J. Stephan, R. Widera, S. Bryngelson, H. Le Berre, A. Radhakrishnan, J. Young, S. Chandrasekaran, F. Ciorba, O. Simsek, K. Clark, F. Spiga, J. Hammond, S. John, D. Hardy, S. Keller, J.-G. Piccinali, C. Trott. Application Experiences on a GPU-Accelerated Arm-based HPC Testbed. In Proceedings of the HPC Asia 2023 Workshops (HPC Asia ’23 Workshops). Association for Computing Machinery, New York, NY, USA, 35–49. (2023)
- 2022
- R. Tripathi, A. Reza, J. M. Calabrese, Role of Network Topology in Between-Community Beta Diversity on River Networks, Complex Networks and Their Applications XI. COMPLEX NETWORKS 2016 2022. Studies in Computational Intelligence, vol 1078.
- M. Hecht, Z. Shao, S. B. Jain, Adversarial attacks for machine learning denoisers and how to resist them, Emerging Topics in Artificial Intelligence (ETAI), 21.-25.08.2022, San Diego, USA
- M. Hecht, Multivariate Interpolation in Non-Tensorial Nodes May Lift the Curse of Dimensionality for Trefethen functions, CCM Colloquium, Simons Foundation, Flatiron Institute, New York City, USA, 2022
- M. Hecht, Multivariate Interpolation in Non-Tensorial Nodes May Lift the Curse of Dimensionality for Trefethen functions, BSC Life Science Seminar, Barcelona Supercomputing Center (BSC), Barcelona, Spain, 2022
- D. Konar, Hybrid Classical-Quantum Machine Learning Algorithms for Large Scale Applications, 11th IEEE International Conference on CSNT, 23-24.04.2022
- K. Ramakrishna, J. Vorberger, A. D. Baczewski, M. Lokamani, A. Cangi, Electrical Conductivity of Iron under Earth-Core Conditions from Time-Dependent Density Functional Theory, APS March Meeting 2022, 14.03.2022
- S. Nikolov, J. Tranchida, A. Cangi, K. Ramakrishna, M. A. Wood, Probing Structural and Magnetic Phase Changes in the Shock Response of Iron with Molecular Dynamics, APS March Meeting 2022, 15.03.2022
- T. J. Callow, N. E. Rahat, E. Kraisler, A. Cangi, Comparisons of density-functional average-atom models and measures of the mean ionization state, APS March Meeting 2022, 15.03.2022
- L. Fiedler, G. A. Popoola, N. A. Modine, A. P. Thompson, A. Cangi, Size transferability of machine-learning based density functional theory surrogates, APS March Meeting 2022, 15.03.2022
- K. Shah, A. Cangi, Accelerating Time-Dependent Density Functional Theory with Physics-Informed Neural Networks, APS March Meeting 2022, 16.03.2022
- T. Hentschel, A. Kononov, A. D. Baczewski, A. Cangi, S. B. Hansen, Effects of electron-ion collisions on stopping powers in warm dense matter, APS March Meeting 2022, 16.03.2022
- 2021
- A. Cangi, Data-driven and physics-informed modeling of matter under extreme conditions, CFEL-DESY, 15.12.2021
- A. Mertel, J. Calabrese, Modeling the effect of the national borders in the spread of COVID-19: A case study of the Saxony-Czechia border region, International Symposium on Geospatial Approaches to Combating Covid-19, 13.12.2021
- A. Mertel, Geographical data analysis in the historical research, LINDAT CLARIAH-CZ Talk, 12.11.2021
- F. Poeschel, A. Huebl, Towards loosely-coupled scientific I/O pipelines with openPMD-api and ADIOS2, SMC2021, 22.07.2021
- T. Callow, Density-functional average-atom model for first-principles simulations of warm dense matter, AMCP-Seminar, Universität Rostock, 01.06.2021
- D. Zbíral, A. Mertel, R. Shaw, T. Hampejs, An ontology for modelling the social, spatial, and semantic relations in pre-modern written sources: Takeaways from data model development in the Dissident Networks Project (DISSINET), Data for History. Modelling Time, Places, Agents, 19.05.-30.06.2021
- K. Ramakrishna, J. Vorberger, A. Cangi, Electrical conductivity of materials under extreme conditions using TDDFT, APS March Meeting 2021, 19.03.2021
- T. J. Callow, E. Kraisler, S. B. Hansen, E. K. Gross, A. Cangi, First-principles derivation of an average-atom model from the many-body Hamiltonian of coupled electrons and ions, APS March Meeting 2021, 19.03.2021
- T. Dornheim, A. Cangi, K. Ramakrishna, M. Boehme, J. Vorberger, Effective Static Approximation: A fast and reliable tool for Warm Dense Matter Theory, APS March Meeting 2021, 19.03.2021
- A. Kononov, T. Hentschel, A. Cangi, A. D. Baczewski, S. B. Hansen, Comparison of DFT-based methods for electronic stopping in warm dense aluminum, APS March Meeting 2021, 17.03.2021
- A. Cangi, J. A. Ellis, N. A. Modine, J. Adam Stephens, A. P. Thompson, S. Rajamanickam, Accelerating Finite-Temperature Kohn-Sham Density Functional Theory with Deep Neural Networks, APS March Meeting 2021, 15.03.2021
- 2020
- M. Bussmann, From Data to Understanding – The Center for Advanced Systems Understanding, Faculty of Physics and Astronomy, University of Wrocław, 13.11.2020
- M. Bussmann, Streaming Data – The Transformation of HPC Systems into Discovery Machines, DRBSD Workshop at Supercomputing Conference 2020, 12.11.2020
- A. Gupta, P. Incardona, A. Aydin, S. Gumhold, U. Günther, I. Sbalzarini, An Architecture for Interactive In Situ Visualization and Its Transparent Implementation in OpenFPM, ISAV workshop at Supercomputing Conference 2020, 12.11.2020
- M. Bussmann, Casus: Stand und Ausblick, IT Meeting, Görlitz, 12.10.2020
- J. Calabrese & K. Frank, Network effects on communities and functions. iDiv Annual Conference 2020, 08.10.2020
- J. Calabrese, Efficient coronavirus testing using statistical methods and AI, Artificial Intelligence for a better living: medicine, science, business, 30.09.2020
- M. Bussmann, Welcome to the Exascale Jungle: Performance Portable Manycore Programming for next generation HPC, Meeting of the NUG Society at ICM University of Warsaw, 25.09.2020
- M. Bussmann, Introduction to CASUS, Jahrestreffen der CMS Deutschland, 23.09.2020
- J. Stephan, Lessons Learned Developing Frameworks with SYCL, SYCL Summer Sessions, 03.09.2020
- M. Bussmann, Supercomputers as Discovery Machines – Why HPC Must Rethink its Toolbox, 24th HPC Connection Workshop Digital on AI & Exascale Ready Technologies and Applications, 22.06.2020
- M. Bussmann, Big Lasers for Small Accelerators: Exascale Simulations for Better Cancer Therapy, GPU Technology Conference 2020
- M. Bussmann, Plasma Physics with PIConGPU – Lessons learned from 10 years of living with the HPC hardware zoo, Modular Supercomputing Architectures Online Seminar, Jülich Supercomputing Centre, 19.05.2020
- M. Bussmann, The discovery machines – how supercomputers will shape the future of data-driven science, Virtual ICM Seminar in Computer and Computational Science, ICM University of Warsaw, April 2020
- M. Bussmann et al., Taming the Complexity of Laser-Plasma Accelerators, Invited Talk PHEDM – Hirschegg Workshop 2020
- 2019
- M. Bussmann, Invited Talk Semestereröffnung IHI Zittau 2019
- U. Günther et al., Das beste aus beiden Welten, bei: CAPTCHA! Maschinen lernen Handeln von Menschen, die nicht verstehen, was sie wissen, Schwarzmarkt für nützliches Wissen und Nicht-Wissen Nr. 23, Deutsches Hygiene-Museum Dresden, 06.12.2019
- T. Dornheim et al., Seminar Talk National University of Defense Technology, Changsha, China
- T. Dornheim et al., Invited Talk Division of Plasma Physics meeting of the AAPPS, Hefei, China, November 2019
- M. Bussmann et al., Warum kompliziert wenn es auch komplex geht? Wie digitale Systemforschung aus Daten Wissen macht, Invited Talk Senckenberg Museum für Naturkunde Görlitz, 19.11.2019
- S. Chandrasekaran et al., Running PIConGPU on Summit, CAAR: Preparing PIConGPU for Frontier @ ORNL, Supercomputing 19, Denver, Colorado
- M. Bussmann et al., Data Management & Analysis: The challenge of complexity and how to attack it, Invited Talk 1st Annual Meeting of the Photon and Neutron Open Science Cloud, Trieste, 05.11.2019
- U. Günther et al., Virtual Reality for Bioimage Informatics, Chan-Zuckerberg Biohub, San Francisco, 01.11.2019
- U. Günther et al., Scenery: Flexible Virtual Reality Visualisation on the Java VM, IEEE VIS 2019, Vancouver, 24.10.2019
- T. Dornheim et al., Vortrag 9th Joint Workshop on High Pressure, Planetary and Plasma Physics (HP4), Dresden, Germany, Oktober 2019
- M. Bussmann et al., Data-intensive methods for complex systems analysis, Invited Talk S3 Seminar, WUST, Wroclaw, 17.10.2019
- M. Bussmann et al., Data intensive Systems Science, Invited Talk Hugo Steinhaus Seminar, WUST, Wroclaw, 16.10.2019
- M. Bussmann et al., Write once, run everywhere: ALPAKA for single-source many-core programming in C++, Invited Talk CMS week, CERN, 25.09.2019
- M. Bussmann et al., Interactive, data-intensive HPC, Eingeladener Vortrag CERN EP-IT Data Science Seminar, 25.09.2019
- U. Günther et al., Fortbildung Virtual & Augmented Reality für Gymnasiallehrer, CSBD Dresden, 30.08.2019
- M. Bussmann, Öffentlicher Abendvortrag Senckenberg Museum für Naturkunde Görlitz, 27.08.2019
- T. Dornheim et al., Vortrag 10th International Workshop on Warm-Dense-Matter 2019, Travemünde, Germany, Mai 2019
- T. Dornheim et al., Vortrag International Conference on High Energy Density (ICHED), Oxford, United Kingdom, April 2019