Atomistic Modelling and Simulation (AMS)
Minaam QamarDoctoral Candidate
Group: Atomistic simulation of mechanical behaviour
Department of Atomistic Modelling and SimulationRuhr-Universität Bochum
Tel. +49 2534 32 26138
Email: Minaam Qamar
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.
Atomistic simulations of magnetism
Density functional theory
Bond order potentials