The analysis of a plane wave pseudopotential density functional theory code on a GPU machine

By Weile Jia, Zongyan Cao, Long Wang, Jiyun Fu, Xue-bin Chi, Wei Gao, Lin-wang Wang. Computer Physics Communications, 2013

466 citations recorded by the source corpus.

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

View Paper: https://www.semanticscholar.org/paper/7b8484fd2cc83cd365784907b583e5f8b3e447b2

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. Linfeng Zhang
2. Han Wang
3. Teemu Rantalaiho
4. Topi Siro
5. W. E
6. David J. Srolovitz
7. T. Wen
8. Samuli Hakala

In Materials Chemistry

1. Linfeng Zhang
2. David J. Srolovitz
3. W. E
4. T. Wen
5. Han Wang
6. Risi Kondor
7. Nicholas K.-R. Kevlahan

Citations in the corpus

• Computational Physics on Graphics Processing Units (2012, methodology): “[60] have done an implementation for GPU clusters of a plane wave pseudo-potential code called PEtot.”
• Deep Potentials for Materials Science (2022, methodology): “Data files can be written in one of the following package formats: VASP [66, 67], LAMMPS [81], Gaussian [85], SIESTA [86], CP2K [87], QE [68], FHI-aims [88], QUIP [89], PWmat [14, 15], AMBER [90], GROMACS [84], and ABA-CUS [69].”