Machine intelligence for chemical reaction space
- Philippe Schwaller
- Alain C. Vaucher
- et al.
- 2022
- WIREs Computational Molecular Science
Publications
4 results at WIREs Computational Molecular Science
Emerging quantum computing algorithms for quantum chemistry
- Mario Motta
- Julia E. Rice
- 2021
- WIREs Computational Molecular Science
TeraChem: A graphical processing unit-accelerated electronic structure package for large-scale ab initio molecular dynamics
- Stefan Seritan
- Christoph Bannwarth
- et al.
- 2020
- WIREs Computational Molecular Science
Accelerating physical simulations of proteins by leveraging external knowledge
- Alberto Perez
- Joseph A. Morrone
- et al.
- 2017
- WIREs Computational Molecular Science