Graeme Henkelman

According to our database, Graeme Henkelman authored at least 3 papers between 2007 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Atom-centered machine-learning force field package.

Lei Li, Ryan A. Ciufo, Jiyoung Lee, Chuan Zhou, Bo Lin, Jaeyoung Cho, Naman Katyal, Graeme Henkelman

Comput. Phys. Commun., November, 2023

2011

Paths to which the nudged elastic band converges.

Daniel Sheppard, Graeme Henkelman

J. Comput. Chem., 2011

2007

Improved grid-based algorithm for Bader charge allocation.

Edward Sanville, Steven D. Kenny, Roger Smith, Graeme Henkelman

J. Comput. Chem., 2007