Jan JensenPaper on #compchem prog Sparrow with #ml AIQM1 (https://www.nature.com/articles/s41467-021-27340-2) and many semi-empirical QM methods (DFTB, PMx...) is out in @[email protected]: https://doi.org/10.1063/5.0136404
Part of a special issue dedicated to semi-empirical methods: https://publishing.aip.org/publications/journals/special-topics/jcp/modern-semiempirical-electronic-structure-methods/
🐦🔗: https://twitter.com/PavloDral/status/1615169021019848704
Artificial intelligence-enhanced quantum chemical method with broad applicability - Nature Communications
Artificial intelligence is combined with quantum mechanics to break the limitations of traditional methods and create a new general-purpose method for computational chemistry simulations with high accuracy, speed and transferability.