Simplified and improved string method for computing the minimum energy paths in barrier-crossing events.

By W. E, Weiqing Ren, Eric Vanden-Eijnden. Journal of Chemical Physics, 2007

706 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics

View Paper: https://www.semanticscholar.org/paper/d1c8b7a6b283dbcd253d0017b96d2603eabf9c10

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Gian-Marco Rignanese
2. Marc Torrent
3. Xavier Gonze
4. Michiel J. van Setten
5. Eric Bousquet
6. Matteo Giantomassi
7. Matthieu J. Verstraete
8. Bernard Amadon

Citations in the corpus

• Recent developments in the ABINIT software package (2016, methodology): “In this case, the forces are obtained as in the NEB method from the true force perpendicular but now the configurations are equally redistributed along the path at each iteration [17].”