个人学术档案

Ari Paavo Seitsonen

Ecole Normale Supérieure

被引用次数：54756

Ab initio molecular dynamics water van der Waals interactions surfaces nanomesh

Todd J Martinez

Stanford University

在 stanford.edu 的电子邮件经过验证

被引用次数：34108

Ab Initio Molecular Dynamics Quantum Dynamics Quantum Chemistry Mechanochemistry Nonadiabatic Dynamics

Pedro EM Lopes

CSO, FastCompChem, Lda

在 fastcompchem.pt 的电子邮件经过验证

被引用次数：14366

Computational chemistry ab initio molecular dynamics drug discovery quantum mechanics ADMET

Kari Laasonen

Professor of Physical Chemistry, Aalto University, Finland

在 aalto.fi 的电子邮件经过验证

被引用次数：13810

Ab initio modelling ab initio molecular dynamics chemical reactions electrochemical modelling

Carlo Antonio Pignedoli

Empa

在 empa.ch 的电子邮件经过验证

被引用次数：11996

ab initio molecular dynamics

Biswajit Santra

Senior Scientist II, Schrödinger, Inc.

在 schrodinger.com 的电子邮件经过验证

被引用次数：10955

Electronic Structure Computational Material Science Computational Physics Ab-Initio Molecular Dynamics

Philipp Marquetand

Vienna, Austria

在 marquetand.net 的电子邮件经过验证

被引用次数：8290

machine learning theoretical chemistry ab initio molecular dynamics computational chemistry

Brandon C. Wood

LEAF Director, Lawrence Livermore National Laboratory

在 llnl.gov 的电子邮件经过验证

被引用次数：5747

Computational Materials Science Ab initio molecular dynamics Interfacial Science Energy Storage and Conversion Corrosion

Shaama Mallikarjun Sharada

Associate Professor, Mork Family Department of Chemical Engineering and Materials …

在 usc.edu 的电子邮件经过验证

被引用次数：5193

computational chemistry ab initio molecular dynamics photocatalysis homogeneous catalysis heterogeneous catalysis

Marialore Sulpizi

Ruhr Universität Bochum

在 ruhr-uni-bochum.de 的电子邮件经过验证

被引用次数：4764

ab initio molecular dynamics Density Functional Theory Interfaces Free energy calculations vibrational spectroscopy

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