Publications

3 results for Todd J. Martínez

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
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
- - Stefan Seritan
  - Christoph Bannwarth
  - et al.
- 2020
- The Journal of Chemical Physics
Building a More Predictive Protein Force Field: A Systematic and Reproducible Route to AMBER-FB15
- - Lee-Ping Wang
  - Keri A. McKiernan
  - et al.
- 2017
- Journal of Physical Chemistry B