Skip to content

The 463nd forum:Crystal structure prediction

Date: 2025-11-23
Time: 14:00
Venue: M236
Speaker: Prof. Artem R. Oganov

Skolkovo Institute of Science and Technology, Russia

报告人简介:

Prof. Artem R. Oganov was born in 1975 in Moscow (USSR). He graduated from Moscow State University in 1998 and obtained his PhD from University College London (UK) in 2002. After a one-year postdoctoral period, he moved to ETH Zurich as a senior scientist and group leader. From 2008 to 2017, he served as a Professor at Stony Brook University (US). Since 2015, he has been a Professor at the Skolkovo Institute of Science and Technology (Skoltech) in Russia, and since 2024, he holds the title of Distinguished Professor.

He has authored more than 300 scientific publications, which have been cited over 30,000 times according to Web of Science. He is a laureate of the 2019 Friendship Award of the Chinese Government and received the Highly Cited Researcher Award from Clarivate Analytics in 2022 and 2024—an honor granted to the top 0.1% of most-cited scientists. Since its establishment in 2023, he has served as the chairman of the Scientific Committee of the VYZOV Prize, a top-level research award in Russia and internationally.

报告摘要:

The breakthrough of crystal structure prediction has resulted in breakthroughs in related problems of compound prediction and prediction of stable molecules/clusters. The vast body of new phenomena required an explanation, and this has stimulated the development of new concepts. I will discuss several chemically significant cases:

1.Discovery of anomalous compounds under pressure, such as Na3Cl, NaCl7 and highest-temperature superconductors known to date – H3S, YH6, CaH6, ThH10, LaH10.

2.Discovery of counterintuitive phenomena at high pressure – formation of transparent insulating phase of sodium and chemical reactivity of helium.

3.Rationalization of these and other phenomena based on newly developed scales of electronegativity and chemical hardness, as well as a new simple model of reactivity of the chemical elements.

4.Prediction of stable molecules – the formalism and its applications. In particular, I shall discuss the results on molecules and crystalline allotropes of sulfur, phosphorus and boron. Chemical diversity of hydrocarbons will be explained, as well as unusual molecules in the C-H-N-O system.

邀请人:于晓辉(yuxh@iphy.ac.cn)

联系人:胡  颖(8264 9361)