CASUS In-depth SciTalks, Thomas D. Kühne, CASUS Director, HZDR, and Professor for Computational Systems Science at TU Dresden

Abstract of the talk// Thomas revisits the pressure-induced metal-insulator transition of solid hydrogen by means of variational Quantum Monte Carlo simulations based on the antisymmetric shadow wave function. In order to facilitate studying the electronic structure of large-scale fermionic systems, the shadow wave function formalism is extended by a series of technical improvements, such as a revised optimization method for the employed shadow wave function and an enhanced treatment of periodic systems with long-range interactions. It is found that the superior accuracy of the anti-symmetric shadow wave function results in a significantly increased transition pressure.

Prof. Thomas D. Kühne will be talking live in Görlitz. However, as the event is organized in a hybrid format that includes a videoconferencing tool by Zoom Inc., people interested in the topic have the chance to also join the talk remotely. Please ask for the login details via

UPDATE: The talk originally was scheduled for November 8 but had to be postponed by three weeks.