August 2019

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September 28, 2020, 4:00 PM. Deciphering the Phillips Catalyst by Supervised Machine Learning from Orbital Analysis of Cr pre-edge XANES Molecular Libraries
Speaker: Alexander Guda ( MS Teams )

September 25, 2020, 4:00 PM. From bulk to nano: How changes properties
Speaker: Elena Kuchma ( MS Teams )

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 Cherkasova ( 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 18, 2020, 3:00 PM. Pre-defending seminar of Martini Andrea
Speaker: Martini Andrea ( MS Teams )

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June 15, 2020, 3:00 PM. Pre-defending seminar of Pankin Ilia
Speaker: Ilia Pankin ( MS Teams )

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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 )

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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 )

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April 28, 2020, 4:00 PM. Calculation of theoretical absorption, extinction, and scattering spectra using PyGDM code
Speaker: Mikhail Kirichkov ( MS Teams )

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