Adaptive nudged elastic band approach for transition state calculation

By Paul Maragakis, S. Andreev, Yisroel Brumer, David R. Reichman, Efthimios Kaxiras. 2002

172 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/d71dd82bea35bd8f82e1809bafbff41cf5b7c31d