197 citations
- Helmholtz-Zentrum Dresden-RossendorfDE168 papers
- Technische Universität DresdenDE42 papers
- University of WrocławPL25 papers
- Christian-Albrechts-Universität zu KielDE19 papers
- University of RostockDE19 papers
- KTH Royal Institute of TechnologySE16 papers
- Sandia National LaboratoriesUS13 papers
- European X-Ray Free-Electron LaserDE11 papers
- Lawrence Livermore National LaboratoryUS11 papers
- University of OxfordGB9 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR8 papers
- Al-Farabi Kazakh National UniversityKZ7 papers
25 papers · 1 filter
The noiseless limit and improved-prior limit of the maximum entropy method and their implications for the analytic continuation problem
Thomas Chuna, Nicholas Barnfield, Paul Hamann +3
Quantum Monte Carlo (QMC) methods are uniquely capable of providing exact simulations of quantum many-body systems. Unfortunately, the applications of a QMC simulation are limited…
PyLIT: Reformulation and implementation of the analytic continuation problem using kernel representation methods
Alexander Benedix Robles, Phil-Alexander Hofmann, Thomas Chuna +2
Path integral Monte Carlo (PIMC) simulations are a cornerstone for studying quantum many-body systems. The analytic continuation (AC) needed to estimate dynamic quantities from the…
eminus -- Pythonic electronic structure theory
Wanja Timm Schulze, Sebastian Schwalbe, Kai Trepte +1
In current electronic structure research endeavors such as warm dense matter or machine learning applications, efficient development necessitates non-monolithic software, providing…
First principles simulations of dense hydrogen
Michael Bonitz, Jan Vorberger, Mandy Bethkenhagen +24
Accurate knowledge of the properties of hydrogen at high compression is crucial for astrophysics (e.g. planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) a…
Excitation signatures of isochorically heated electrons in solids at finite wavenumber explored from first principles
Zhandos A. Moldabekov, Thomas D. Gawne, Sebastian Schwalbe +3
Ultrafast heating of solids with modern X-ray free electron lasers (XFELs) leads to a unique set of conditions that is characterized by the simultaneous presence of heated electron…
Inverting the Kohn-Sham equations with physics-informed machine learning
Vincent Martinetto, Karan Shah, Attila Cangi +1
Electronic structure theory calculations offer an understanding of matter at the quantum level, complementing experimental studies in materials science and chemistry. One of the mo…