3 ms·
Nah, first principal models (ie, QM) are now in Hi-Performance Fortran, C, C++ and/or Python: https://psicode.org/ https://psicode.org/
by jleyank 3y ago
Nah, first principal models (ie, QM) are now in Hi-Performance Fortran, C, C++ and/or Python: https://psicode.org/ https://psicode.org/
- bloaf 3y agoNo. I'm talking about things like polymer rheological or film properties, or industrial scale reactor performance. That's not to mention one-offs like cloud point predictors, or specialized thermo packages. See, for example, https://www.technipenergies.com/sites/energies/files/2021-11/Brochure_PT_Ethylene_SPYRO_WEB.pdf https://www.technipenergies.com/sites/energies/files/2021-11...
- jleyank 3y agoSorry, my chemical experience is qm and biotech/pharma. Molecular not large-scale…