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Molecular Dynamics with Neural-Network Potentials

Molecular Dynamics with Neural-Network Potentials

18 December 2018
M. Gastegger
P. Marquetand
    AI4CE
ArXiv (abs)PDFHTML

Papers citing "Molecular Dynamics with Neural-Network Potentials"

4 / 4 papers shown
Title
Quantum neural networks force fields generation
Quantum neural networks force fields generation
Oriel Kiss
F. Tacchino
S. Vallecorsa
I. Tavernelli
AI4CE
65
20
0
09 Mar 2022
Deep Learning for UV Absorption Spectra with SchNarc: First Steps
  Towards Transferability in Chemical Compound Space
Deep Learning for UV Absorption Spectra with SchNarc: First Steps Towards Transferability in Chemical Compound Space
Julia Westermayr
P. Marquetand
91
53
0
15 Jul 2020
Machine learning for electronically excited states of molecules
Machine learning for electronically excited states of molecules
Julia Westermayr
P. Marquetand
71
266
0
10 Jul 2020
Machine learning and excited-state molecular dynamics
Machine learning and excited-state molecular dynamics
Julia Westermayr
P. Marquetand
AI4CE
61
56
0
28 May 2020
1