Philippe JUND

Philippe JUND

Professor of Theoretical Chemistry, Montpellier University (France)
Email verificata su umontpellier.fr
Citato da 4218
solid state physics and chemistry ab initio simulations classical molecular dynamics functionnal materials-glasses thermoele
George Yiapanis

George Yiapanis

Research Scientist at IBM Research Melbourne
Email verificata su au1.ibm.com
Citato da 622
Molecular Modelling Classical Molecular Dynamics Nano-functionalised Surfaces Nano-composites Material Science
Surinder Pal Kaur

Surinder Pal Kaur

Indian Institute of Technology Ropar
Citato da 368
Hydrogen Storage Battery Nanomaterials DFT Classical molecular dynamics
James Moraes de Almeida

James Moraes de Almeida

Professor, Ilum Escola de Ciência - CNPEM
Email verificata su ilum.cnpem.br
Citato da 348
Classical Molecular Dynamics Ab Initio Simulations Machine Learning Natural Language Processing
Joaquin Peralta

Joaquin Peralta

Postdoctoral Research Associate, Iowa State University
Email verificata su iastate.edu
Citato da 270
Computational Material Science Ab-Initio simulations Classical Molecular Dynamics
Priyanka B. Shukla

Priyanka B. Shukla

PhD student, University of Pittsburgh
Email verificata su pitt.edu
Citato da 106
Density functional theory metal-organic frameworks Monte Carlo simulation classical molecular dynamics
Michele Aparecida Salvador

Michele Aparecida Salvador

Post Doctorate
Email verificata su usp.br
Citato da 105
Molecular modeling first principles calculations classical molecular dynamics Monte Carlo method
Rounak Nath

Rounak Nath

SRF , School of Chemical Science, Indian Association for the Cultivation of Science
Email verificata su iacs.res.in
Citato da 81
QM/MM Classical Molecular Dynamics DFT
Rakesh Kumar Roy

Rakesh Kumar Roy

Post doctoral Research Associate, The University of Arizona, USA
Email verificata su arizona.edu
Citato da 71
Computational Biophysics Enhanced Sampling Classical Molecular Dynamics QM/MM Machine Learning
Vivek Sundaram

Vivek Sundaram

Ph.D candidate, Eindhoven University of Technology
Email verificata su tue.nl
Citato da 56
Quantum simulations Classical molecular dynamics GW-BSE organic photovoltaics
1 - 10