Rajshahi University of Engineering and Technology
I am a Materials Science & Engineering student and research enthusiast focused on Computational Materials Science, DFT, and data-driven materials research. My primary interests lie in DFT-based materials modeling, particularly for energy materials, nanomaterials, catalysis, energy storage, functional materials, polymers, and sustainable/waste-derived materials. I am interested in understanding how atomic structure, electronic properties, surface/interface interactions, adsorption, defects, and stability govern material performance—and using these insights to guide materials design. Alongside DFT, I am developing expertise in AI/ML, Machine Learning for Interatomic Potentials (MLIP), Molecular Dynamics (MD), scientific Python, Linux, and computational workflows. My goal is to combine physics-based simulations with data-driven approaches to accelerate materials discovery while maintaining meaningful physical interpretation. I have contributed to research involving DFT-based surface and materials investigations, nanomaterials, polymer-based energy-storage materials, and adsorption studies, as well as scientific manuscripts and publications. I particularly enjoy research problems where computation can reduce experimental workload while providing a mechanistic understanding of experimentally relevant materials. I am also interested in experimental materials research, especially where computational predictions can be connected with practical synthesis, characterization, and performance evaluation. My long-term research direction is centered on the intersection of materials science, computation, sustainability, and energy technologies.