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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...

詳細記述

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書誌詳細
出版年:Sci Adv
主要な著者: von Rudorff, Guido Falk, von Lilienfeld, O. Anatole
フォーマット: Artigo
言語:Inglês
出版事項: American Association for the Advancement of Science 2021
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC8133750/
https://ncbi.nlm.nih.gov/pubmed/34138735
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1126/sciadv.abf1173
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