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Andriy O. Lyakhov
Researcher at Stony Brook University
Publications - 47
Citations - 5435
Andriy O. Lyakhov is an academic researcher from Stony Brook University. The author has contributed to research in topics: Crystal structure prediction & Crystal structure. The author has an hindex of 26, co-authored 47 publications receiving 4513 citations. Previous affiliations of Andriy O. Lyakhov include ETH Zurich & State University of New York System.
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New developments in evolutionary structure prediction algorithm USPEX
TL;DR: It is shown how to generate randomly symmetric structures, and how to introduce 'smart' variation operators, learning about preferable local environments, that substantially improve the efficiency of the evolutionary algorithm USPEX and allow reliable prediction of structures with up to ∼200 atoms in the unit cell.
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How Evolutionary Crystal Structure Prediction Works—and Why
TL;DR: It is demonstrated that the energy landscapes of chemical systems have an overall shape and explore their intrinsic dimensionalities and the power of evolutionary CSP is illustrated through applications that examine matter at high pressure, where new, unexpected phenomena take place.
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Transparent dense sodium.
Yanming Ma,Yanming Ma,Mikhail Eremets,Artem R. Oganov,Artem R. Oganov,Artem R. Oganov,Yu Xie,I. A. Trojan,Sergey A. Medvedev,Andriy O. Lyakhov,Andriy O. Lyakhov,Mario Valle,Vitali B. Prakapenka +12 more
TL;DR: Experimental observations of a pressure-induced transformation of Na into an optically transparent phase at ∼200 GPa are reported, attributing the emergence of this dense insulating state not to atom pairing, but to p–d hybridizations of valence electrons and their repulsion by core electrons into the lattice interstices.
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Unexpected Stable Stoichiometries of Sodium Chlorides
Weiwei Zhang,Artem R. Oganov,Artem R. Oganov,Artem R. Oganov,Alexander F. Goncharov,Alexander F. Goncharov,Qiang Zhu,Salah Eddine Boulfelfel,Andriy O. Lyakhov,Elissaios Stavrou,Maddury Somayazulu,Vitali B. Prakapenka,Zuzana Konôpková +12 more
TL;DR: These experiments establish that compounds violating chemical intuition can be thermodynamically stable even in simple systems at nonambient conditions.
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A little bit of lithium does a lot for hydrogen
TL;DR: This work finds that a combination of significantly quantal elements, six of seven atoms being hydrogen, becomes a stable metal at a pressure approximately 1/4 of that required to metalize pure hydrogen itself.