Petr Grigorev

Centre Interdisciplinaire de Nanoscience de Marseille Départment Théorie et Simulation Numérique

I am a Research Fellow working in the field of computational material science. I am interested in application and development of simulation methods bridging different length and time scales. Recently I have been working on incorporating methods of reproducible research, uncertainty quantification and machine learning in multiscale modelling approach.

Short bio

I am from Saint-Petersburg and obtained my master degree in Physics from Peter the Great St. Petersburg Polytechnic University in 2012. The same year I enrolled in a Ph.D. program shared between Ghent University and Complutense University of Madrid within the framework of Erasmus Mundus FUSION-DC. However I spent most of my time at Belgian Nuclear Research Centre SCK•CEN in Mol, Belgium working on my research project together with Structural Materials expert group.

I defended my Ph.D. in April 2017 and, shortly after that, joined Warwick Centre for Predictive Modelling as a Research Fellow. In December 2020 I started as a postdoc at the Départment Théorie et Simulation Numérique of Centre Interdisciplinaire de Nanoscience de Marseille (CINaM).

Traditional detailed version of my CV can be downloaded here: CV. You can find my publications with all the details and some pdf versions on the publications page.


Dec 6, 2021 Exciting results on ab initio-machine learning coupling are published in a preprint.
Oct 21, 2021 A new paper on machine learning potentials for W and Fe is available online!
Apr 16, 2021 Significant update of matscipy dislocation module with plenty of new functions.
Jan 18, 2021 Updated version of ForceQMMM calculator is now available in Atomic Simulation Environment.
Dec 1, 2020 I moved to Marseille!

selected publications

  1. PhysRev
    Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism
    Phys. Rev. Materials 2020
  2. PhD Thesis
    Assessment of retention of plasma components in tungsten under high flux plasma exposure: multi-scale modelling approach
    Grigorev, Petr
    PhD Thesis 2017