Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide

Zakariya El-Machachi, Damyan Frantzov, A. Nijamudheen, Tigany Zarrouk, Miguel A. Caro, Volker L. Deringer^*

^*Corresponding author for this work

University of Oxford

Research output: Contribution to journal › Article › Scientific › peer-review

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ExaFF: Exascale-ready machine learning force fields
Caro, M. (Principal investigator), Veit, M. (Project Member), Zarrouk, T. (Project Member), Muhli, H. (Project Member), Kloppenburg, J. (Project Member) & Hernandez Leon, P. (Project Member)
01/01/2022 → 31/12/2024
Project: Academy of Finland: Other research funding