WS22 database, Wigner Sampling and geometry interpolation for configurationally diverse molecular datasets

por Pinheiro Jr, Max, Zhang, Shuang, Dral, Pavlo O., Barbatti, Mario
Publicado 2023

Fewest switches surface hopping with Baeck-An couplings

por T. do Casal, Mariana, Toldo, Josene M., Pinheiro Jr, Max, Barbatti, Mario
Publicado 2022

Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles

por Barbatti, Mario, Bondanza, Mattia, Crespo-Otero, Rachel, Demoulin, Baptiste, Dral, Pavlo O., Granucci, Giovanni, Kossoski, Fábris, Lischka, Hans, Mennucci, Benedetta, Mukherjee, Saikat, Pederzoli, Marek, Persico, Maurizio, Pinheiro Jr, Max, Pittner, Jiří, Plasser, Felix, Sangiogo Gil, Eduarda, Stojanovic, Ljiljana
Publicado 2022