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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...

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Bibliografske podrobnosti
izdano v:Sci Adv
Main Authors: von Rudorff, Guido Falk, von Lilienfeld, O. Anatole
Format: Artigo
Jezik:Inglês
Izdano: American Association for the Advancement of Science 2021
Teme:
Online dostop: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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