FORTRAN remains widely used in computational chemistry due to optimized numerical execution speed
Fortran continues to be utilized in computational chemistry software suites, such as Quantum ESPRESSO, to maintain optimized numerical execution speeds on modern hardware architectures.
The retrieved literature shows ongoing reliance on Fortran (and CUDA Fortran) for high-performance computational chemistry and physics software like Quantum ESPRESSO, supporting the claim that it remains widely used for its numerical execution speed.
Carnimeo I, Affinito F, Baroni S, Baseggio O, Bellentani L, Bertossa R, Delugas PD, Ruffino FF, Orlandini S, Spiga F, Giannozzi P. Quantum ESPRESSO: One Further Step toward the Exascale.. 2023. https://doi.org/10.1021/acs.jctc.3c00249
Highlights the use of CUDA Fortran offloading for high-performance electronic-structure calculations in the Quantum ESPRESSO suite.
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Mironov V, Komarov K, Li J, Gerasimov I, Nakata H, Mazaherifar M, Ishimura K, Park W, Lashkaripour A, Oh M, Huix-Rotllant M, Lee S, Choi CH. OpenQP: A Quantum Chemical Platform Featuring MRSF-TDDFT with an Emphasis on Open-Source Ecosystem.. 2024. https://doi.org/10.1021/acs.jctc.4c01117
Notes that modern computational chemistry platforms retain the performance benefits of compiled languages like Fortran.
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