Publikationen

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)

Z. Moldabekov, T. Dornheim, M. Böhme, J. Vorberger, A. Cangi, The relevance of electronic perturbations in the warm dense electron gas. J. Chem. Phys. 155, 124116 (2021)

S. Nikolov, M. A. Wood, A. Cangi, J. B. Maillet, M. C. Marinica, A. P. Thompson, M. P. Desjarlais, J. Tranchida, Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics. npj Comput Mater 7, 153 (2021)

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)

U. Hernandez Acosta, A. I. Titov, B. Kämpfer, Rise and fall of laser-intensity effects in spectrally resolved Compton process. New J. Phys., 23 095008 (2021)

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)

T. Dornheim, J. Vorberger, Z. A. Moldabekov, Nonlinear Density Response and Higher Order Correlation Functions in Warm Dense Matter. J. Phys. Soc. Jpn. 90, 104002 (2021)

L. Schüler, J. M. Calabrese, S. Attinger, Data driven high resolution modeling and spatial analyses of the COVID-19 pandemic in Germany. PLoS ONE 16(8): e0254660 (2021)

T. Dornheim, Z. A. Moldabekov, J. Vorberger, Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas. J. Chem. Phys. 155, 054110 (2021)

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)

S. Ghosh, A. Senapati, J. Chattopadhyay, C. Hens, D. Ghosh, Optimal test-kit-based intervention strategy of epidemic spreading in heterogeneous complex networks. Chaos 31, 071101 (2021)

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)

T. Kurz, T. Heinemann, M. F. Gilljohann, Y. Y. Chang, J. P. Couperus Cabadağ, A. Debus, O. Kononenko, R. Pausch, S. Schöbel, R. W. Assmann, M. Bussmann, H. Ding, J. Götzfried, A. Köhler, G. Raj, S. Schindler, K. Steiniger, O. Zarini, S. Corde, A. Döpp, B. Hidding, S. Karsch, U. Schramm, A. Martinez de la Ossa & A. Irman, Demonstration of a compact plasma accelerator powered by laser-accelerated electron beams. Nature Communications volume 12, 2895 (2021)

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
Volume 523, 110711 (2021)

T. Dornheim, J. Vorberger: Overcoming finite-size effects in electronic structure simulations at extreme conditions. J. Chem. Phys. 154, 144103 (2021)

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)

U. Günther, K. I. S. Harrington, R. Dachselt and I. F. Sbalzarini: Bionic Tracking: Using Eye Tracking to Track Biological Cells in Virtual Reality. In: Bartoli A., Fusiello A. (eds) Computer Vision – ECCV 2020 Workshops. ECCV 2020. Lecture Notes in Computer Science, vol 12535. Springer, Cham. (2021) / GitHub

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

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

Z. A. Moldabekov, T. Dornheim, J. Vorberger, A. Cangi, Benchmarking Exchange-Correlation Functionals in the Spin-Polarized Inhomogeneous Electron Gas under Warm Dense Conditions. arXiv

T. Callow, B. Pearce, N. Gidopoulos, Density functionals with spin-density accuracy for open shells. arXiv

L. Fiedler, K. Shah, M. Bussmann, A. Cangi, A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry. arXiv

I. Silva, J. M. Calabrese, Emerging opportunities for wildlife with sustainable autonomous transportation. EcoEvoRxiv

F. Graziani, Z. A. Moldabekov, B. Olson, M. Bonitz, Shock Physics in Warm Dense Matter–a quantum hydrodynamics perspective. arXiv

T. Dornheim, Z. A. Moldabekov, J. Vorberger, B. Militzer, Path Integral Monte Carlo Simulations of liquid 3He without Fixed Nodes: Structural Properties and Collective Excitations. arXiv

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

P. Tolias, F. Lucco Castello, T. Dornheim, Integral equation theory based dielectric scheme for strongly coupled electron liquids. arXiv

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

C. H. Fleming, I. Deznabi, S. Alavi, M. C. Crofoot,  B. T. Hirsch, E. P. Medici, M. J. Noonan, R. Kays, W. F. Fagan, D. Sheldon, J. M. Calabrese, Population-level inference for home-range areas. arXiv

F. Poeschel, 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

F. Lucco Castello, P. Tolias, T. Dornheim, Classical bridge functions in classical and quantum plasma liquids. arXiv

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. ecoevorxiv

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

T. Dornheim, Z. A. Moldabekov, Jan Vorberger, Nonlinear density response from imaginary-time correlation functions: Ab initio path integral Monte Carlo simulations of the warm dense electron gas. arXiv

T. Dornheim, J. Vorberger, B. Militzer, Z. A. Moldabekov, Momentum distribution of the Uniform Electron Gas at finite temperature: Effects of spin-polarization. arXiv

Z. A. Moldabekov, T. Dornheim, A. Cangi, Thermal Signals from Collective Electronic Excitations in Inhomogeneous Warm Dense Matter. arXiv

T. J. Callow, E. Kraisler, S. B. Hansen, A. Cangi, First-principles derivation and properties of density-functional average-atom models. arXiv

T. Dornheim, Fermion Sign Problem in Path Integral Monte Carlo Simulations: Grand-canonical ensemble. arXiv

Z. Moldabekov, T. Dornheim, G. Gregori, F. Graziani, M. Bonitz, A. Cangi, The Quantum Bohm Potential for Many-Fermion Systems. arXiv

H. Abramowicz, U. Hernandez Acosta, M. Altarelli, R. Assmann, Z. Bai et al., Conceptual Design Report for the LUXE Experiment. arXiv

J. L. Brunner, J. M. Calabrese, Modelling the probability of detecting mass mortality events. bioRxiv

L. Schüler, J. M. Calabrese, S. Attinger, Data Driven High Resolution Modeling and Spatial Analyses of the COVID-19 Pandemic in Germany. medRxiv

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

K. Hunger, T. Schoof, T. Dornheim, M. Bonitz, A. Filinov: Momentum distribution function and short-range correlations of the warm dense electron gas — ab initio quantum Monte Carlo results. arXiv

T. Dornheim, Z. A. Moldabekov: Analytical representation of the Local Field Correction of the Uniform Electron Gas within the Effective Static Approximation. arXiv

M. J. Noonan, R. Martinez-Garcia, G. H. Davis, M. C. Crofoot, R. Kays, B. T. Hirsch, D. Caillaud, E. Payne, A. Sih, D. L. Sinn, O. Spiegel, W. F. Fagan, C. H. Fleming, J. M. Calabrese: Estimating encounter location distributions from animal tracking data. bioRxiv

J. M. Calabrese, J. Demers: How optimal allocation of limited testing capacity changes epidemic dynamics. medRxiv

J. A. Ellis, A. Cangi, N. A. Modine, J. A. Stephens, A. P. Thompson, S. Rajamanickam: Accelerating Finite-temperature Kohn-Sham Density Functional Theory with Deep Neural Networks. arXiv

T. Dornheim, M. Invernizzi, J. Vorberger, B. Hirshberg: Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration. 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

T. Dornheim, A. Cangi, K. Ramakrishna, M. Böhme, S. Tanaka, J. Vorberger: Effective Static Approximation: A Fast and Reliable Tool for Warm Dense Matter Theory. 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

T. Dornheim, Jan Vorberger: Finite-size effects in the reconstruction of dynamic properties from ab initio path integral Monte-Carlo simulations. / arXiv