Computational Materials Science Seminar (CMS)

The seminar covers both computational methodology and its applications to explain and predict materials. We encourage to present the computational studies for any kind of solid, soft, and liquid materials. If you would like to present your results at our seminar please contact Aksenov Dmitry. The seminar is held on Thursdays, 16:00 at Skoltech, Moscow.

**List of talks:**
20.06.2019 16:00	Dr. Anton V. Sinitskiy	Deep Learning Outperforms DFT in Predicting Electron Densities and Energies of Organic Molecules	TPOC3 408
16.05.2019 16:00	Dr.Andrey Knizhnik	Multiscale modeling in computational materials science for industry: case studies from Kintech Lab	TPOC4 258
16.04.2019 16:00	Prof. Xavier Gonze	Electronic Structure of Solids: Temperature Dependence and Zero-Point Motion Effect (PDF presentation)	TPOC3 408
28.02.2019 16:00	Dr. Valentin Ryzhov	Melting scenarios and unusual crystal structures in two-dimensional core-softened systems (PDF presentation)	TPOC3 402
14.02.2019 16:00	Dr. Pavel Sorokin	2D carbon nanostructuring. Several examples of new nanostructures formation with promising properties	TPOC3 402
13.12.2018 16:00	Prof. Stanislav Yurchenko	2D colloids in rotating electric fields: Tunable interactions and particle-resolved studies	TPOC3 402
15.11.2018 16:00	Prof. Sergei Tretiak	Hybrid Perovskite: From Understanding Fundamental Physics to Optoelectronic Applications	TPOC3 402
08.11.2018 16:00	Prof. Alexander Nemukhin	Computational modeling of molecular processes in proteins (PDF presentation)	TPOC3 402
17.10.2018 16:00	Prof. Jörg Neugebauer	Exploration of large ab initio data spaces to design structural materials with superior mechanical properties	TPOC3 407
05.06.2018 11:50	Prof. Zhihua Yang	Mechanism and Design of Deep-UV Nonlinear Optical Materials with Tetrahedral Structural Units	TPOC3 407
05.06.2018 11:00	Prof. Shilie Pan	New Borate Nonlinear Optical Materials (PDF presentation)	TPOC3 407
31.05.2018 13:00	Dr. Vijay Kumar	First Principles Studies of Novel Inorganic Double Helices and Thin Layers of Perovskites	TPOC3 403
25.04.2018 16:00	Dr. Anatoly Belonoshko	State of iron in the Earth Core: paradigm change	TPOC3 403
18.04.2018 16:00	Prof. Tomas Frauenheim	DFTB+ – An approximate DFT method: Applications to computational nanomaterials (PDF presentation)	TPOC3 403
29.03.2018 16:00	Dr. Dmitry Aksyonov	Understanding catalytic activity through DFT calculations of surface adsorption	TPOC3 402
22.02.2018 16:00	Dr. Christian Tantardini	Development of new methods into the framework of Bader’s Theory and their application (PDF presentation)	TPOC3 407
12.02.2018 16:00	Prof. Richard Dronskowski	Chemical bonding, LOBSTER, and all that (PDF presentation)	TPOC3 403
25.01.2018 16:00	Dr. Andrei Tchougréeff	(Resonating) Valence Bonds: Lost Tribe(s) of Solid-State Quantum Chemistry (PDF presentation)	TPOC3 402
21.12.2017 16:00	Dr. Sergey Levchenko	Ab initio Modelling of Surfaces at Realistic Conditions: Interplay of Adsorbate-Substrate and Adsorbate-Adsorbate Interactions (PDF presentation)	TPOC3 402

Coordinator: Aksenov Dmitry