Petr Grigorev

Metals and Alloys group (METAL) Matériaux Ingénierie et Science laboratory (MatéIS) INSA Lyon

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I am a Researcher (Chargé de Recherche CNRS) 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 of materials.

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). Then I moved to Institut Matériaux Microélectronique Nanosciences de Provence for another postdoc in March 2024. Finally, in February 2025 I joined METAL group of MatéIS laboratory as a CNRS Researcher.

For more information please go to the CV page. Traditional detailed version of my CV can be downloaded here: CV. You can find my publications with all the details and open access pdf versions on the publications page.

news

Apr 1, 2025 :loudspeaker: This week I am attending CECAM workshop with a poster .
Feb 1, 2025 :rocket: I joined METAL group of MatéIS laboratory as a CNRS Researcher!
Jan 27, 2025 :tada: Our paper on implicit derivatives has been published in npj computational materials!
Sep 23, 2024 :loudspeaker: This week I am attending MMM11 conference with a poster and a presentation
Aug 29, 2024 Tutorials from 'Modélisation des Matériaux' summer school are available online.

For older news see news archive.

selected publications

  1. Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods
    Petr Grigorev, Alexandra M. Goryaeva, Mihai-Cosmin Marinica, James R. Kermode, and Thomas D. Swinburne
    Acta Materialia 247 p. 118734 (Feb 2023)
  2. Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism
    Petr GrigorevThomas D. Swinburne, and James R. Kermode
    Phys. Rev. Materials 4 p. 023601 (Feb 2020)
  3. PhD Thesis
    Assessment of retention of plasma components in tungsten under high flux plasma exposure: multi-scale modelling approach
    Petr Grigorev
    PhD Thesis Ghent University, Faculty of Engineering and Architecture/Universidad Complutnese de Madrid, Facultad de Ciencias Fisicas (Apr 2017)