Loïc Dumortier
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Published
2024
Managing Expectations and Imbalanced Training Data in Reactive Force Field Development: An Application to Water Adsorption on Alumina , , Journal of Chemical Theory and Computation (JCTC) , 2024 , [+]
Non CMM publications (A1)
From Ionic Surfactants to Nafion through Convolutional Neural Networks , , Journal of Physical Chemistry B , Volume 124 Issue 40 Pages 8918-8927 , 2020 , 3.229 , 94/163 [Q3]
Dissertations
(D1) , Model-Informed Training Data Curation for Reactive All-Atom Potentials , , Supervisor(s): Prof. Dr. ir. Toon Verstraelen, dr. Jelle Vekeman, dr. Theodorus De Bruin and dr. Benoît Creton , 20/06/2025
2022 - 2024
A Reactive Force Field for Alumina Systems , , Blankenberge (Belgium) , Wed, 12/10/2022 to Fri, 14/10/2022
Postscript First
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Postscript Second
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Postscript Third
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Preface First
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Preface Second
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Preface Third
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