TREXIO: A file format and library for quantum chemistry

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; 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

doi:10.1063/5.0148161

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TREXIO: A file format and library for quantum chemistry

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.

The Journal of Chemical Physics 158 [17] 174801. 2023.

https://doi.org/10.1063/5.0148161

Open Access AIP Publishing (Publisher) Materials Data Repository (MDR)

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MDRavailable TREXIO: A file format and library for quantum chemistry

作成時刻: 2024-11-15 03:14:53 +0900更新時刻: 2024-12-21 04:31:51 +0900