Introducing ONETEP: linear-scaling density functional simulations on parallel computers.

By Chris-Kriton Skylaris, P. Haynes, Arash A. Mostofi, M. Payne. Journal of Chemical Physics, 2005

576 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Condensed Matter Physics

View Paper: https://www.semanticscholar.org/paper/729fe5b7b97d5a3e4df9c1c399d2a3424f76b0ec

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. Ivo Souza
2. Nicola Marzari
3. D. Vanderbilt
4. Arash A. Mostofi
5. Jonathan R. Yates
6. Nathan Wiebe
7. Ryan Babbush
8. Jarrod R. McClean

In Condensed Matter Physics

1. Ivo Souza
2. D. Vanderbilt
3. Jonathan R. Yates
4. Nicola Marzari
5. Arash A. Mostofi
6. Matthias Scheffler
7. Garnet Kin-Lic Chan

Citations in the corpus

• Active learning of linearly parametrized interatomic potentials (2016, background): “They include the so-called linear scaling DFT [1, 2, 3] that ensures that the algorithmic complexity grows linearly when the size of the atomistic system increases beyond hundreds of atoms.”
• Maximally-localized Wannier Functions: Theory and Applications (2011, methodology): “12 shows, for example, NGWFs on a Ni atom in bulk NiO, obtained using the onetep linear-scaling DFT code (Skylaris et al., 2005).”