Loïc Dumortier

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A1 Publications

Published

2024

Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: An Application to Water Adsorption on Alumina , L. Dumortier, C. Chizallet, B. Creton, T. De Bruin, T. Verstraelen , Journal of Chemical Theory and Computation (JCTC) , 2024

Non CMM publications (A1)

From Ionic Surfactants to Nafion through Convolutional Neural Networks , L. Dumortier, S. Mossa , Journal of Physical Chemistry B , Volume 124 Issue 40 Pages 8918-8927 , 2020 , 3.229 , 94/163 [Q3]

Other Publications

Dissertations

(D1) , Model-Informed Training Data Curation for Reactive All-Atom Potentials , L. Dumortier , Supervisor(s): Prof. Dr. ir. Toon Verstraelen, dr. Jelle Vekeman, dr. Theodorus De Bruin and dr. Benoît Creton , 20/06/2025

Keynote / Plenary / Invited talks

Talks

Posters

2022 - 2024

A Reactive Force Field for Alumina Systems , L. Dumortier, B. Creton, T. De Bruin, T. Verstraelen , Blankenberge (Belgium) , Wed, 12/10/2022 to Fri, 14/10/2022

Funding