Profiles

John P. Perdew

Temple University

Verified email at temple.edu

Cited by 425780

density functional theory materials theory quantum chemistry

Georg Kresse

University of Vienna, Faculty of Physics, Professor for Computational Quantum Mechanics

Verified email at univie.ac.at

Cited by 415791

density functional theory first principles calculations many body theory condensed matter physics materials science

Kieron Burke

UC Irvine chemistry and physics

Verified email at uci.edu

Cited by 251552

density functional theory quantum chemistry materials science electronic structure machine learning

Weitao Yang

Philip Handler Professor, Department of Chemistry, Duke University

Verified email at duke.edu

Cited by 203122

theoretical chemistry density functional theory computational chemistry biophysics physical chemistry

carlo adamo

ENSCP - Chimie Paristech

Verified email at chimie-paristech.fr

Cited by 166572

theoretical chemistry photochemistry density functional theory

Evert Jan Baerends

Professor of Theoretical Chemistry, Vrije Universiteit, Amsterdam

Verified email at vu.nl

Cited by 93799

Density Functional Theory chemical bonding molecule-surface interaction relativistic effects

Nicola Marzari

École Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)

Verified email at epfl.ch

Cited by 93331

computational materials science condensed matter physics density-functional theory

Paul Hopkins

Computational Scientist, Cardiff University

Verified email at astro.cf.ac.uk

Cited by 80690

Soft Condensed Matter Density Functional Theory Gravitational Waves LIGO

Daniel Joubert

School of Physics, University of the Witwatersrand

Verified email at wits.ac.za

Cited by 79099

Condensed Matter Density Functional Theory Electronic Structure

Graeme Henkelman

Professor of Chemistry, University of Texas

Verified email at utexas.edu

Cited by 79025

computational chemistry catalysis transition state theory density functional theory

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