Rapid generation of optimal generalized Monkhorst-Pack grids

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

Natural Sciences, Physics, Computational Electromagnetics +6

Brillouin-zone integration by Fourier quadrature: Special points for superlattice and supercell calculations

Sverre Froyen · Physical review. B, Condensed matter · 1989 · 505 citations

Natural Sciences, Physics, Condensed Matter Physics +11

Algorithm for generating derivative structures

Gus L. W. Hart, Rodney W. Forcade · Physical Review B · 2008 · 429 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +14

Efficient generation of generalized Monkhorst-Pack grids through the use of informatics

Pandu Wisesa, Kyle A. McGill, Tim Mueller · Physical review. B./Physical review. B · 2016 · 355 citations

Natural Sciences, High-performance Computing, Materials Science +10

Ensemble Effect in Bimetallic Electrocatalysts for CO₂ Reduction

Yuxuan Wang, Liang Cao, Nicole J. LiBretto et al. · Journal of the American Chemical Society · 2019 · 341 citations

Natural Sciences, Chemistry, Materials Science +17