Concepedia
Nature · 2024 · 77 citations · 47 references
Open access
47
Special points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations
Numerical Analysis, Spectral Theory, Wave Vector +19
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Steven J. Plimpton · Journal of Computational Physics · 1995 · 43.6K citations
Engineering, Fast Parallel Algorithms, Parallel Programming +6
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
David Vanderbilt · Physical review. B, Condensed matter · 1990 · 22.6K citations
Engineering, First-principles Pseudopotentials, Functional Analysis +19
Self-interaction correction to density-functional approximations for many-electron systems
John P. Perdew, Alex Zunger · Physical review. B, Condensed matter · 1981 · 20.5K citations · Full text
Total Energy, Quantum Science, Self-interaction Correction +15
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
Alexander Stukowski · Modelling and Simulation in Materials Science and Engineering · 2009 · 15.3K citations
Real-time Visualization, Engineering, Data Visualization +20