A generalized solid-state nudged elastic band method.

By D. Sheppard, Penghao Xiao, William D. Chemelewski, Duane D. Johnson, Graeme Henkelman. Journal of Chemical Physics, 2012

1,009 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Computational Mechanics, Mechanics of Materials

View Paper: https://www.semanticscholar.org/paper/1762a21b0dd27894c8dea0f589102ea037f08f45

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. Kristin A. Persson
2. Gerbrand Ceder
3. Axel van de Walle

In Mechanics of Materials

1. Kristin A. Persson

Citations in the corpus

• Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures (2015, positive): “In this work, we take a signi fi cant step forward by harnessing the quantitative accuracy a ff orded by density functional theory (DFT) nudged elastic band (NEB) simulations 44 − 46 to gain deeper insights and arrive at a simple, quantitative recipe for screening compounds and structures.”