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Simplifying inverse materials design problems for fixed lattices with alchemical chirality
Brute-force compute campaigns relying on demanding ab initio calculations routinely search for previously unknown materials in chemical compound space (CCS), the vast set of all conceivable stable combinations of elements and structural configurations. Here, we demonstrate that four-dimensional chir...
Autores principales: | von Rudorff, Guido Falk, von Lilienfeld, O. Anatole |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Association for the Advancement of Science
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8133750/ https://www.ncbi.nlm.nih.gov/pubmed/34138735 http://dx.doi.org/10.1126/sciadv.abf1173 |
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