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1 Ergebnisse
1
Routine Molecular Dynamics Simulations Including Nuclear Qu..:
Plé, Thomas
;
Mauger, Nastasia
;
Adjoua, Olivier
...
Journal of Chemical Theory and Computation. , 2023
Link:
https://doi.org/10.1021/acs.jctc.2c01233
RT Journal T1
Routine Molecular Dynamics Simulations Including Nuclear Quantum Effects: From Force Fields to Machine Learning Potentials
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c01233&Exemplar=1&LAN=DE A1 Plé, Thomas A1 Mauger, Nastasia A1 Adjoua, Olivier A1 Inizan, Théo Jaffrelot A1 Lagardère, Louis A1 Huppert, Simon A1 Piquemal, Jean-Philip PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c01233 DO https://doi.org/10.1021/acs.jctc.2c01233 SF ELIB - SuUB Bremen
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