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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4 results at WIREs Computational Molecular Science

Machine intelligence for chemical reaction space
- - Philippe Schwaller
  - Alain C. Vaucher
  - et al.
- 2022
- 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