General purpose Gaussian approximation potential for P with Hirshfeld volumes for vdW corrections

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ExaFF: Exascale-ready machine learning force fields
Caro Bayo, 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
COMPEX: Towards accurate computational experimentation: machine-learning-driven simulation of nanocarbon synthesis
Caro Bayo, M. (Principal investigator), Hernandez Leon, P. (Project Member), Jana, R. (Project Member), Muhli, H. (Project Member), Kondati Natarajan, S. (Project Member), Zarrouk, T. (Project Member) & Wang, Y. (Project Member)
01/09/2019 → 31/08/2023
Project: Academy of Finland: Other research funding

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