September 2020

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16:00 Machine learning and big data in material science or when will we stop doing calculations in VASP
Reporter: Oleg Usoltsev
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15:00 How does ADF work - from XYZ coordinates to HOMO-LUMO orbitals
Reporter: Alina Skorynina
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16:00 Calculation of Gibbs energy, enthalpy, entropy of the reaction. How and why?
Reporter: Andrei Tereshchenko
22 23
15:00 Thermodynamics and statistical physics of spin-crossover and valence tautomerism - why the temperature can change the spin and charge of the molecule?!
Reporter: Svetlana Cherkasova
24 25
15:00 A lot is not always good. Methods for electron-electronic interactions calculation: HF, DFT, DMFT, GW
Reporter: Victor Shapovalov
16:00 From bulk to nano: How changes properties
Reporter: Elena Kuchma
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16:00 Deciphering the Phillips Catalyst by Supervised Machine Learning from Orbital Analysis of Cr pre-edge XANES Molecular Libraries
Reporter: Alexander Guda
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March 21, 2016, 4:00 PM. UiO-66 MOF synthesis using different modulators
Speaker: Charykov Konstantin

March 21, 2016, 4:00 PM. Determination of the active phase of the Pd nanocalyst
Speaker: Aram Bugaev

March 16, 2016, 3:00 PM. Preliminary presentation of the PhD thesis
Speaker: Kirill Lomachenko

March 14, 2016, 4:00 PM. Nanomaterials science: literature review
Speaker: Alexander Soldatov

March 14, 2016, 4:00 PM. Investigation of the magnetic colloidal Fe3O4 nanoparticles
Speaker: Yulia Podkovirina

March 14, 2016, 4:00 PM. Gold functionalized zeolites
Speaker: Tatiana Lastovina

March 9, 2016, 4:00 PM. Porous materials and surface area measurements
Speaker:

February 29, 2016, 4:00 PM. Molecules@Surfaces - Winter School Report
Speaker: Aram Bugaev

February 29, 2016, 4:00 PM. 1D structures on vicinal surfaces
Speaker: Svetlana Suchkova

February 24, 2016, 4:00 PM. True and colloidal solutions
Speaker: Tatiana Lastovina

February 17, 2016, 2:00 PM. Sample preparation and XAS measurements using RIGAKU R-XAS
Speaker: Alexander Guda

February 15, 2016, 4:00 PM. Current state of the XFEL project
Speaker: Alexander Guda  

February 1, 2016, 4:00 PM. Quasicrystalls AlCuFe: local atomic and electronic structure
Speaker:

November 23, 2015, 4:00 PM. How to measure an optical spectrum using only red laser?
Speaker: Alexander Guda

November 16, 2015, 4:30 PM. Report on the participation in BioMAPP-15
Speaker:


Seminars 151 - 165 of 169
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