| 24.07.2019 16:00 |
Prof. Artur Izmaylov |
Quantum Chemistry on a Quantum Computer: Recent Developments and Current Challenges |
TPOC3 408 |
| 17.07.2019 16:00 |
Dr. Alex Mironenko |
Predictive Modeling of Chemical Reactions in Heterogeneous Catalysis: Toward Physics-Based Reactive Force Fields |
TPOC3 408 |
| 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 |