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Just another WordPress site - Ruhr-Universität Bochum

ICAMS
M.Sc. Minaam Qamar

Doctoral Candidate

Department:

  • Atomistic Modelling and Simulation

Group: Atomistic Simulation of Mechanical Behaviour

ICAMS

Contact


Ruhr-Universität Bochum
IC 02-729
Universitätsstr 150
44801 Bochum

Tel.: +49 2534 32 26138
E-Mail: minaam.qamar@rub.de

Research

Ab-initio tensile test of a Σ5(210) Ir grain boundary with a segregated H atom.
ICAMS 2023

My research focusses on studying the relationship between atomic-scale and macro-scale properties of materials. This involves the use of atomistic and electronic simulation techniques, such as DFT, to explain and predict physical properties at the macro-scale.

Currently I am studying the anomalous brittle fracture behaviour of transition metal Ir by performing 'ab-initio tensile tests' on various structures of Ir and studying the relationship between its atomistic fracture mode and its fundamental bonding nature.

Competences

Atomistic simulations of magnetism
Density functional theory
Bond order potentials

Publications
  • S. Menon, Y. Lysogorskiy, A. Knoll, N. Leimeroth, et al.
    From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows. npj Computational Materials, 10, 261, (2024)
  • M. Qamar, M. Mrovec, Y. Lysogorskiy, A. Bochkarev, R. Drautz
    Atomic cluster expansion for quantum-accurate large-scale simulations of carbon. Journal of Chemical Theory and Computation, 19, 5151–5167, (2023)
  • A. Bochkarev, Y. Lysogorskiy, S. Menon, M. Qamar, et al.
    Efficient parametrization of the atomic cluster expansion. Physical Review Materials, 6, 013804, (2022)
Talks and Posters
  • 28.10.2022
    Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
    Atomic cluster expansion for quantum-accurate simulations for carbon
    5th Young Material Researchers day, Ruhr-Universität Bochum, Germany
  • 06.09.2022
    Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
    Transferable atomic cluster expansion potential for carbon
    DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
  • 29.08.2022
    Yury Lysogorskiy, Anton Bochkarev, Matteo Rinaldi, Minaam Qamar, et al.
    Atomic cluster expansion for materials modeling invited
    Materials Chain International Conference on Future Energy Materials and Systems 2022, Ruhr-Universität Bochum, Germany
  • 02.06.2022
    Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
    Modelling nano-scale carbon materials with quantum accuracy
    SurMat Retreat, Akademie Biggesee, Attendorn, Germany
  • 23.03.2022
    Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
    Parametrization of atomic cluster expansion potential for carbon
    International ACE Seminar, online event
  • 21.03.2022
    Minaam Qamar
    ACE potential for C; parametrization and application invited
    Atomic Cluster Expansion International Seminar Series, online event
  • 08.10.2021
    Minaam Qamar
    ML Potentials of carbon; review of datasets and fitting procedures
    POTENTIALS project seminar, online event
  • 01.06.2021
    Matous Mrovec, Daria Smirnova, Sergei Starikov, Tapaswani Pradhan, et al.
    Atomistic insights into microstructural defects and their role in H embrittlement invited
    THERMEC’2021 International conference on processing & manufacturing of advanced materials, online event
  • 18.05.2021
    Minaam Qamar
    Modelling carbon and its allotropes invited
    SurMat Retreat, online event
  • 07.04.2021
    Minaam Qamar
    Data analysis for parametrizing a carbon potential
    MPI-E Retreat, online event
Short CV

Professional Experience

Since May 2019: Fellow of the International Max Planck Research School for Interface Controlled Materials for Energy Conversion (IMPRS-SurMat)

Education

2015. M.Sc., Physics, Jamia Millia Islamia University, Delhi

2013. B.Sc., Physics, University of Delhi

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44801 Bochum

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