TREXIO: A file format and library for quantum chemistry

Article

Creator

Evgeny Posenitskiy ; Vijay Gopal Chilkuri ; Abdallah Ammar ; Michał Hapka ; Katarzyna Pernal ; Ravindra Shinde ; Edgar Josué Landinez Borda ; Claudia Filippi ; Kosuke Nakano ; Otto Kohulák ; Sandro Sorella ; Pablo de Oliveira Castro ; William Jalby ; Pablo López Ríos ; Ali Alavi ; Anthony Scemama

Keyword

quantum chemistry, data, interoperability

Date published

2023-05-07

Updated at

2024-12-18 08:30:57 +0900