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

Dataset

Active
NEXTCELL: Next generation interatomic potentials to simulate new cellulose based materials
Caro Bayo, M. (Principal investigator)
01/09/2020 → 31/08/2025
Project: Academy of Finland: Other research funding
Finished
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

Projects