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Ruhr-Universität Bochum
IC 02-729
Universitätsstr 150
44801 Bochum
Tel.: +49 2534 32 26138
E-Mail: minaam.qamar@rub.de
Research
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
- 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)
- 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