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Gregory Fonseca
Gregory Fonseca
未知所在单位机构
在 uni.lu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules
V Vassilev-Galindo, G Fonseca, I Poltavsky, A Tkatchenko
The Journal of Chemical Physics 154 (9), 2021
362021
Improving molecular force fields across configurational space by combining supervised and unsupervised machine learning
G Fonseca, I Poltavsky, V Vassilev-Galindo, A Tkatchenko
The Journal of Chemical Physics 154 (12), 2021
262021
Force Field Analysis Software and Tools (FFAST): Assessing Machine Learning Force Fields under the Microscope
G Fonseca, I Poltavsky, A Tkatchenko
Journal of Chemical Theory and Computation 19 (23), 8706-8717, 2023
32023
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