In the Department of General Physics, various physical systems are modeled in detail using high-performance workstations located in our department's modeling laboratory. In this context, molecular dynamics simulation software such as GROMACS and DL_POLY, which enable the simulation of structural, dynamic, and energetic processes at the molecular level, as well as programs like Gaussian, Quantum ESPRESSO, and GAMESS for quantum chemical calculations, are actively utilized. Additionally, custom-developed, purpose-specific home made codes are also employed to support computational studies as needed by the research projects.

The ongoing research activities are centered around two main themes: nanoscale materials physics and computational biophysics.

In the field of nanoscale materials physics, particular emphasis is placed on the investigation of the structural, thermal, and electronic properties of trimetallic nanoalloys. Systems such as Pd–Ag–Pt, Au–Pt–Pd, Cu–Au–Pt, and Pd–Au–Rh are studied using Molecular Dynamics (MD) simulations and Density Functional Theory (DFT) calculations to explore properties like chemical ordering, local atomic pressures, melting behaviors, and geometric stability. These studies contribute to fields such as nanocatalysis, materials science, and energy technologies.

In the area of computational biophysics, protein–ligand interactions are theoretically investigated. Prominent research topics include the binding of SARS-CoV-2 to the ACE2 receptor, the interactions of natural compounds (e.g., quercetin) with viral enzymes, and the binding of the Alzheimer's drug rivastigmine to the acetylcholinesterase enzyme. These studies involve molecular modeling, docking simulations, molecular dynamics simulations, and related analyses.

The Department of General Physics continues to contribute to interdisciplinary fields by addressing contemporary scientific problems through theoretical and computational approaches.