Ari Paavo Seitsonen

Ari Paavo Seitsonen

Ecole Normale Supérieure
Citato da 56051
Ab initio molecular dynamics water van der Waals interactions surfaces nanomesh
Todd J Martinez

Todd J Martinez

Stanford University
Email verificata su stanford.edu
Citato da 34841
Ab Initio Molecular Dynamics Quantum Dynamics Quantum Chemistry Mechanochemistry Nonadiabatic Dynamics
Pedro E. M. Lopes

Pedro EM Lopes

CSO, FastCompChem, Lda
Email verificata su fastcompchem.pt
Citato da 14762
Computational chemistry ab initio molecular dynamics drug discovery quantum mechanics ADMET
Kari Laasonen

Kari Laasonen

Professor of Physical Chemistry, Aalto University, Finland
Email verificata su aalto.fi
Citato da 13972
Ab initio modelling ab initio molecular dynamics chemical reactions electrochemical modelling
Carlo Antonio Pignedoli

Carlo Antonio Pignedoli

Empa
Email verificata su empa.ch
Citato da 12297
ab initio molecular dynamics
Biswajit Santra

Biswajit Santra

Senior Scientist II, Schrödinger, Inc.
Email verificata su schrodinger.com
Citato da 11392
Electronic Structure Computational Material Science Computational Physics Ab-Initio Molecular Dynamics
Philipp Marquetand

Philipp Marquetand

Vienna, Austria
Email verificata su marquetand.net
Citato da 8533
machine learning theoretical chemistry ab initio molecular dynamics computational chemistry
Brandon C. Wood

Brandon C. Wood

LEAF Director, Lawrence Livermore National Laboratory
Email verificata su llnl.gov
Citato da 6025
Computational Materials Science Ab initio molecular dynamics Interfacial Science Energy Storage and Conversion Corrosion
Shaama Mallikarjun Sharada

Shaama Mallikarjun Sharada

Associate Professor, Mork Family Department of Chemical Engineering and Materials …
Email verificata su usc.edu
Citato da 5376
computational chemistry ab initio molecular dynamics photocatalysis homogeneous catalysis heterogeneous catalysis
Marialore Sulpizi

Marialore Sulpizi

Ruhr Universität Bochum
Email verificata su ruhr-uni-bochum.de
Citato da 4865
ab initio molecular dynamics Density Functional Theory Interfaces Free energy calculations vibrational spectroscopy
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