The Newton-X platform for surface hopping and nuclear ensembles

The Newton-X platform for surface hopping and nuclear ensembles

Mario Barbatti*, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo O. Dral, Giovanni Granucci, Fábris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro Jr, Jiri Pittner, Felix Plasser, Eduarda Sangiogo Gil, Lijljana Stojanovic. The Newton-X platform: new software developments for surface hopping and nuclear ensemblesJ. Chem. Theory Comput2022ASAP. DOI: 10.1021/acs.jctc.2c00804.

Blog post › 

Leave a Reply

Your email address will not be published. Required fields are marked *

*