Computational Materials Science Seminar (CMS)

atomo

List of talks:

28.02.2019 16:00

Dr. Valentin Ryzhov  Melting scenarios and unusual crystal structures in two-dimensional core-softened systems 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