M. Cools-Ceuppens
Error estimation in molecular dynamics simulations: nitrogen impurities in iron with machine learning potentials
Error estimation in molecular dynamics simulations: nitrogen impurities in iron with empirical potentials
Ranking molecular crystal structures with many-body expansion QM/MM scheme
The development of explicit-electron force fields in the frame of the Modern Theory of Polarization
Maarten Cools-Ceuppens
Uncertainty prediction in molecular simulations using ab initio derived force fields
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