Graeme Henkelman

Publication Activity (10 Years)

Years Active: 2007-2023
Publications (10 Years): 1

Top Topics

Information Theory

Active Contours

Top Venues

Comput. Phys. Commun.

Publications

Lei Li, Ryan A. Ciufo, Jiyoung Lee, Chuan Zhou, Bo Lin, Jaeyoung Cho, Naman Katyal, Graeme Henkelman
Atom-centered machine-learning force field package. Comput. Phys. Commun. 292 (2023)
Daniel Sheppard, Graeme Henkelman
Paths to which the nudged elastic band converges. J. Comput. Chem. 32 (8) (2011)
Edward Sanville, Steven D. Kenny, Roger Smith, Graeme Henkelman
Improved grid-based algorithm for Bader charge allocation. J. Comput. Chem. 28 (5) (2007)