Stable and Accurate Orbital-Free Density Functional Theory Powered by Machine Learning

R Roman Remme (Interdisciplinary Center for Scientific Computing (IWR)) T Tobias Kaczun (Interdisciplinary Center for Scientific Computing (IWR)) T Tim Ebert (Interdisciplinary Center for Scientific Computing (IWR)) C Christof A. Gehrig (Interdisciplinary Center for Scientific Computing (IWR)) D Dominik Geng (Interdisciplinary Center for Scientific Computing (IWR)) G Gerrit Gerhartz (Interdisciplinary Center for Scientific Computing (IWR)) M Marc K. Ickler (Interdisciplinary Center for Scientific Computing (IWR)) M Manuel V. Klockow (Interdisciplinary Center for Scientific Computing (IWR)) P Peter Lippmann (Interdisciplinary Center for Scientific Computing (IWR)) J Johannes S. Schmidt (Interdisciplinary Center for Scientific Computing (IWR)) S Simon Wagner (Interdisciplinary Center for Scientific Computing (IWR)) A Andreas Dreuw (Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205, Heidelberg 69120, Germany) F Fred A. Hamprecht (Interdisciplinary Center for Scientific Computing (IWR))

Article Details

Volume / Issue Vol. 147, Issue 32
Published August 13, 2025
Pages 28851-28859
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society

ISSN: 0002-7863 Physical Sciences

Authors (13)

R

Roman Remme

Interdisciplinary Center for Scientific Computing (IWR)

T

Tobias Kaczun

Interdisciplinary Center for Scientific Computing (IWR)

T

Tim Ebert

Interdisciplinary Center for Scientific Computing (IWR)

C

Christof A. Gehrig

Interdisciplinary Center for Scientific Computing (IWR)

D

Dominik Geng

Interdisciplinary Center for Scientific Computing (IWR)

G

Gerrit Gerhartz

Interdisciplinary Center for Scientific Computing (IWR)

M

Marc K. Ickler

Interdisciplinary Center for Scientific Computing (IWR)

M

Manuel V. Klockow

Interdisciplinary Center for Scientific Computing (IWR)

P

Peter Lippmann

Interdisciplinary Center for Scientific Computing (IWR)

J

Johannes S. Schmidt

Interdisciplinary Center for Scientific Computing (IWR)

S

Simon Wagner

Interdisciplinary Center for Scientific Computing (IWR)

A

Andreas Dreuw

Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205, Heidelberg 69120, Germany

F

Fred A. Hamprecht

Interdisciplinary Center for Scientific Computing (IWR)