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    Seminars archive

    Seminar topics and presentations

     

    July 2014

     

    03.07.2014

    Gabriele Saleh

    Lecture: Noncovalent interactions pdf

    10.07.2014

    Xiaohu Yu

    Lecture: Magic number of nanoclusters pdf

    17.07.2014

    Igor Blinov

    Lecture: Physical properties of quasicrystals

     

     

    June 2014

     

    05.06.2014


    Joint seminar with BioFarmCluster at MIPT

    19.06.2014

    Fei Qi

    Lecture: Multidimensional Regression

    26.06.2014

    Qinggao Wang

    Report: Surface reconstruction of anatase TiO2

     

    May 2014

     

    08.05.2014

    Fei Qi

    Lecture: Linear Regression pdf

    15.05.2014

    Qinggao Wang

    Lecture: USPEX revolution in surface reconstruction

    22.05.2014

    Artem Oganov

    Report about recent discoveries

    Nikita Mazko

    Report about silicon hydrates studies

    29.05.2014

    Artem Oganov

    Report about recent discoveries

     

    April 2014

     

      

    03.04.2014

    Haiyang Niu

    Report: Application of STM4 for analysis of USPEX calculations results

      07.04.2014

    Guangrui Qian

    Report: New features and new architecture USPEX 10.0

      10.04.2014

      Yuri Fomin

    LectureMolecular simulation of melting pdf

      17.04.2014

     Gabriele Saleh

    Lecture: Noncovalent interactions pdf

      24.04.2014

    Haiyang Niu

    Lecture: New features and new architecture   USPEX  10.0

      29.04.2014

    Xiaohu Yu

    Lecture: Nanocluster and theoretical simulation pdf

     

    March 2014

     

    06.03.2014

    Valeriy Roizen

    Review: application of the statictical analysis for cocrystals prediction

    Ivan Kruglov

    Review: Self - Consistent - Field (SCF) procedure and Basis sets

    Xiaohu Yu

    Report: Investigation of CeO clusters by USPEX

     13.03.2014

    Gabriele Saleh

    Lecture: Definition of ELF and its applications, with particular focus on high-pressure chemistry   
    (
    http://www.cpfs.mpg.de/ELF/index.php?content=01quant/01def.txt)

    Qinggao Wang

    Lecture: the comparison between proposed atomic models and the structures predicted by USPEX calculation

    Oleg Feia

    Report: New metastable superhard incommensurate carbon structure

     20.03.2014

    Igor Blinov

    Report: Nash and Pareto equilibrium in application to cluster computations.

     

    February 2014

     

    06.02.2014

    Oleg Feia

    Review: program Phonopy

     13.02.2014

    Ivan Kruglov

    Review: Introduction to EST

     20.02.2014

    Ivan Kruglov

    Review: Hartree - Fock MO theory

     

    Qinggao Wang

    Report: TiO2 surface reconstruction

     27.02.2014

    Igor Blinov

    Review: numerical and analytical methods in quasicrystals

     

    January 2014

     

    16.01.2014

    Oleg Feia

    Report: Bader charges

      30.01.2014

    Igor Blinov

    Review: long- and short-range order in quasicrystals 

     

    December 2013

     

    05.12.2013

    Gabriele Saleh

    Lecture: COHP and COOP: definition and an overview of its applications

      12.12.2013

    Alexey Lukoyanov Vladimir Anisimov

    Lecture: Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators

    Lecture: Band theory and Mott insulators: Hubbard U instead of Stoner I

      17.12.2013

    Andrey Komendantyan

    Report: Materials for batteries prediction with data mining

      26.12.2013

    Yuri Fomin

    Lecture: Crossover between "rigid" and "soft" fluid in supercritical regime pdf

     

    November 2013

     

    14.11.2013

    Qinggao Wang

    Lecture: Тhe multiple roles of an oxygen vacancy in photocatalyst   
    Recommend article: Ulrike Diebold, surface science reports 48 (2003), 53-229.

    Igor Blinov

    Review: Basics of field theory in condensed matter and DFT+U method

      21.11.2013

    Haiyang Niu

    Lecture: Two Hardness models - Lyakhov-Oganov and Chen-Niu.

      28.11.2013

    Valeriy Roizen

    Review: methods of cocrystals predition

    Igor Blinov

    Report: theory and experimental methods in investigations of ferromagnetics

     

     

     

     

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