| 2022 |
| 13.10.2022 16:00 |
Prof. Yanwei Wang |
Computational materials science and engineering of concrete |
Will appear soon |
| 15.9.2022 16:00 |
Prof. Alexander Chertovich |
UHMWPE polymerization and fiber formation: computer simulations (Presentation) |
E-R2-2027 |
| 2020 |
| 25.5.2020 15:00 |
Prof. Caterina Cocchi |
Optical properties of van der Waals heterostructures from ab initio many-body theory |
Zoom |
| 12.5.2020 15:00 |
Prof. Alexander Tkatchenko |
Machine Learning in Quantum Chemical Space |
Zoom |
| 6.2.2020 17:00 |
Prof. Alexey Kavokin |
Polaritonics for quantum computation (Presentation) |
TPOC3, 408 |
| 6.2.2020 17:00 |
Dr. Stella Kutrovskaya |
Linear carbon chains: ultimate 1D crystals |
TPOC3, 408 |
| 30.1.2020 19:00 |
Prof. Carlo Gatti |
Do the peculiar physical properties of phase change materials entail unusual chemical bonding features? |
E-B2-3006 |
| 30.1.2020 18:20 |
Prof. Xavier Assfeld |
Electron Attachment on Biomolecules: Including Environment Effects with Hybrid Approaches |
E-B2-3006 |
| 30.1.2020 17:40 |
Dr. Dmitry Kvashnin |
Engineering of physical and chemical properties of low-dimensional nanomaterials |
E-B2-3006 |
| 16.1.2020 16:00 |
Dr. Vardan Kaladzhyan |
Quantised Fermi-arc-mediated transport in Weyl semimetal nanowires |
TPOC3, 408 |
| 2019 |
| 16.12.2019 16:00 |
Prof. Alexander Mebel |
Formation of Carbonaceous Materials in Combustion on Earth and in Deep Space |
TPOC3 408 |
| 15.11.2019 11:00 |
Dr. Geoffroy Hautier |
Searching For Materials With exceptional Optical, Electronic and Spin Properties Using Ab Initio high-throughput Computing |
E-B4-3005 |
| 10.03.2019 15:00 |
Dr. Petr Grigorev |
Multiscale QM/MM Modeling of Materials Chemomechanics |
TPOC3
408 |
| 11.09.2019 12:00 |
Prof. Arti Kashyap |
Understanding magnetism in Mn-based systems |
TPOC3 408 |
| 10.09.2019 16:00 |
Prof. Sergei Tretiak |
Multiple cloning and polaritons in excited state non-adiabatic molecular dynamics |
TPOC3 408 |
| 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 |
| 2018 |
|
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 |
|
|
|
2017 |
|
|
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 |
