Unit Cell Optimization
Unit Cell Optimization is a computational or analytical method in materials science and solid-state physics that determines the most energetically favorable or structurally stable configuration of a crystal lattice's repeating unit by systematically adjusting its geometric parameters, boundary conditions, and atomic positions to minimize system energy or satisfy specific physical constraints.
153
Publications
6.9K
Citations
539
Authors
252
Institutions
Publications per year
2017–2026
74
Parents
153
Xiong Chen, Matthew A. Addicoat, Stephan Irle et al. · Journal of the American Chemical Society · 2012 · 352 citations
Natural Sciences, Materials Engineering, Materials Science +17
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252

Centre National de la Recherche Scientifique
Paris, France
7 h-index
18 publications
688 citations

The University of Sydney
Sydney, Australia
4 h-index
9 publications
970 citations

Chinese Academy of Sciences
Beijing, China
4 h-index
19 publications
2.7K citations

Shanghai Jiao Tong University
Shanghai, China
4 h-index
8 publications
445 citations
University of Michigan
Ann Arbor, United States
3 h-index
4 publications
70 citations

National Laboratory of the Rockies
Golden, United States
3 h-index
7 publications
411 citations

University of Toronto
Toronto, Canada
3 h-index
7 publications
373 citations
University of Colorado Boulder
Boulder, United States
3 h-index
5 publications
548 citations
1–8 of 252
4 publications · 167 citations
4
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AWPL · 3 publications · 248 citations
3
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3 publications · 154 citations
3
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3 publications · 81 citations
3
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3 publications · 280 citations
3
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1–5