关注
Nastasia Mauger
Nastasia Mauger
Pittsburgh University
在 pitt.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Nuclear quantum effects in liquid water at near classical computational cost using the adaptive quantum thermal bath
N Mauger, T Plé, L Lagardère, S Bonella, E Mangaud, JP Piquemal, ...
The Journal of Physical Chemistry Letters 12 (34), 8285-8291, 2021
242021
Routine molecular dynamics simulations including nuclear quantum effects: From force fields to machine learning potentials
T Plé, N Mauger, O Adjoua, TJ Inizan, L Lagardère, S Huppert, ...
Journal of Chemical Theory and Computation 19 (5), 1432-1445, 2023
152023
Improving condensed-phase water dynamics with explicit nuclear quantum effects: The polarizable Q-AMOEBA force field
N Mauger, T Plé, L Lagardère, S Huppert, JP Piquemal
The Journal of Physical Chemistry B 126 (43), 8813-8826, 2022
92022
Improving molecular dynamics by explictly including Nuclear Quantum Effects
N Mauger
Sorbonne Université, 2022
2022
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