Zobrazeno 1 - 1
of 1
pro vyhledávání: '"Pavlo Dral"'
Autor:
Mario BARBATTI, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo Dral, Giovanni Granucci, Fabris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro Jr, Jiri Pittner, Felix Plasser, Eduarda Sangiogo Gil, Lijljana Stojanovic
Newton-X is an open-source computational platform to perform nonadiabatic molecular dynamics based on surface hopping and spectrum simulations using the nuclear ensemble approach. Both are among the most common methodologies in computational chemistr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ade9cd28525f44fbdeb246c9702270e0
https://doi.org/10.26434/chemrxiv-2022-8st2h
https://doi.org/10.26434/chemrxiv-2022-8st2h
