Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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3 results for Todd J. Martínez

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
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