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September 25, 2020, 3:00 PM. A lot is not always good. Methods for electron-electronic interactions calculation: HF, DFT, DMFT, GW
Speaker: Victor Shapovalov ( MS Teams )
September 23, 2020, 3:00 PM. Thermodynamics and statistical physics of spin-crossover and valence tautomerism - why the temperature can change the spin and charge of the molecule?!
Speaker: Svetlana Shapovalova ( MS Teams )
September 21, 2020, 4:00 PM. Calculation of Gibbs energy, enthalpy, entropy of the reaction. How and why?
Speaker: Andrei Tereshchenko ( MS Teams )
September 18, 2020, 3:00 PM. How does ADF work - from XYZ coordinates to HOMO-LUMO orbitals
Speaker: Alina Skorynina ( MS Teams )
September 14, 2020, 4:00 PM. Machine learning and big data in material science or when will we stop doing calculations in VASP
Speaker: Oleg Usoltsev ( MS Teams )
June 29, 2020, 4:00 PM. Functionalization of mil-100 by leucine
Speaker: Ivan Gorban ( MS Teams )
June 18, 2020, 3:00 PM. Pre-defending seminar of Martini Andrea
Speaker: Martini Andrea ( MS Teams )
June 15, 2020, 3:00 PM. Pre-defending seminar of Pankin Ilia
Speaker: Ilia Pankin ( MS Teams )
June 10, 2020, 10:00 AM. Pd-catalysts for Heck reaction
Speaker: Aram Bugaev ( MS Teams )
June 8, 2020, 4:00 PM. Theoretical description of the peak splitting in Y zeolite Raman spectra
Speaker: Alina Skorynina ( a.012 )
June 1, 2020, 4:00 PM. Microfluidic synthesis of MIL-88a at room temperature
Speaker: Pavel Medvedev ( MS Teams )
May 25, 2020, 4:00 PM. Artificial Intelligence: data classification and aggregation
Speaker: Andrey Vladimirovich Chernov ( Zoom )
May 13, 2020, 9:00 AM. Sorption of iodine by ZIF-8 metal-organic frameworks from polar and non-polar solvents
Speaker: Vladimir Polyakov ( MS Teams )
April 28, 2020, 4:00 PM. Calculation of theoretical absorption, extinction, and scattering spectra using PyGDM code
Speaker: Mikhail Kirichkov ( MS Teams )
April 22, 2020, 9:00 AM. Machine learning for XANES analysis: current state in science and our tasks
Speaker: Oleg Usoltsev ( MS Teams )
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