Research Explorer

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Project

Groundbreaking models for spectroscopy and charge transport in molecular dynamics simulations

Outputs and Outcomes

Publications

Managing expectations and imbalanced training data in reactive force field development : an application to water adsorption on alumina

Loïc DumortierCéline ChizalletBenoit CretonTheodorus de BruinToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION