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*

*Corresponding author for this work

Research output: Contribution to journal › Article › Academic › peer-review

13 Citations (Scopus)
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  • 2023

    Trexio: A File Format and Library for Quantum Chemistry

    Posenitskiy, E., Chilkuri, V. G., Ammar, A., Hapka, M., Pernal, K., Shinde, R., Borda, E. J. L., Filippi, C., Nakano, K., Kohulák, O., Sorella, S., Castro, P. D. O., Jalby, W., López Ríos, P., Alavi, A. & Scemama, A., 28 Feb 2023, ArXiv.org.

    Research output: Working paper › Preprint › Academic

    Open Access
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    72 Downloads (Pure)