218 citations · 2.9k across the 44 of their papers we have counts for
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physics.chem-ph2023
Data-driven path collective variables
Arthur France-Lanord, Hadrien Vroylandt, Mathieu Salanne +3
Identifying optimal collective variables to model transformations, using atomic-scale simulations, is a long-standing challenge. We propose a new method for the generation, optimiz…
cond-mat.mtrl-sci2023★ 30 cited
Predicting the Charge Density Response in Metal Electrodes
Andrea Grisafi, Augustin Bussy, Mathieu Salanne +1
The computational study of energy storage and conversion processes calls for simulation techniques that can reproduce the electronic response of metal electrodes under electric fie…