Profili

John P. Perdew

Temple University

Email verificata su temple.edu

Citato da 427142

density functional theory materials theory quantum chemistry

Georg Kresse

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

Email verificata su univie.ac.at

Citato da 417437

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

Kieron Burke

UC Irvine chemistry and physics

Email verificata su uci.edu

Citato da 252470

density functional theory quantum chemistry materials science electronic structure machine learning

Weitao Yang

Philip Handler Professor, Department of Chemistry, Duke University

Email verificata su duke.edu

Citato da 203478

theoretical chemistry density functional theory computational chemistry biophysics physical chemistry

carlo adamo

ENSCP - Chimie Paristech

Email verificata su chimie-paristech.fr

Citato da 167118

theoretical chemistry photochemistry density functional theory

Evert Jan Baerends

Professor of Theoretical Chemistry, Vrije Universiteit, Amsterdam

Email verificata su vu.nl

Citato da 93916

Density Functional Theory chemical bonding molecule-surface interaction relativistic effects

Nicola Marzari

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

Email verificata su epfl.ch

Citato da 93814

computational materials science condensed matter physics density-functional theory

Paul Hopkins

Computational Scientist, Cardiff University

Email verificata su astro.cf.ac.uk

Citato da 81119

Soft Condensed Matter Density Functional Theory Gravitational Waves LIGO

Daniel Joubert

School of Physics, University of the Witwatersrand

Email verificata su wits.ac.za

Citato da 79434

Condensed Matter Density Functional Theory Electronic Structure

Graeme Henkelman

Professor of Chemistry, University of Texas

Email verificata su utexas.edu

Citato da 79364

computational chemistry catalysis transition state theory density functional theory

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