European Theoretical Spectroscopy Facility (ETSF)
Research facility
Location:
Liege,
Belgium (BE)
ROR: https://ror.org/0390vgx68
Efficient and improved prediction of the band offsets at semiconductor heterojunctions from meta-GGA density functionals: A benchmark study (2022)
Ghosh A, Jana S, Rauch T, Tran F, Marques MA, Botti S, Constantin LA, et al.
Journal article
Machine-learning correction to density-functional crystal structure optimization (2022)
Hussein R, Schmidt J, Barros T, Marques MAL, Botti S
Journal article
Halogen molecular modifications at high pressure: The case of iodine (2021)
Shi J, Fonda E, Botti S, Marques MAL, Shinmei T, Irifune T, Flank AM, et al.
Journal article
Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction (2018)
Shi J, Cui W, Botti S, Marques MAL
Journal article
On transition rates in surface hopping (2012)
Escartín JM, Romaniello P, Stella L, Reinhard PG, Suraud E
Journal article