Research Area
Topological semimetals host band crossings protected by symmetry, which makes their electronic structure unusually sensitive to structural distortion and to ordering transitions. We study how displacive transitions, charge density wave formation and hidden-order phases reshape the topology of such systems, combining first-principles calculations with effective low-energy theories and close comparison against experiment.
Publications in this area
Journal of the American Chemical Society, 2025
Pancholi A., Negi P., Samanta K., Das A., Yanda P., Pandey S.K., Roychowdhury S.
Physical Review B, 113, 045114 (2026) · Editors’ Suggestion
Kalimuddin Sk., Chatterjee S., Bera A., Bera S., Roy D.S., Das S., Debnath T., Nandy A.K., Pandey S.K. et al.
Other research areas
Exploring spin-orbit assisted Mott insulators and 3d/4d/5d transition metal compounds as QSL candidates using ab initio and renormalization group methods.
Developing efficient deep learning-based tight-binding approaches with ab initio accuracy for billion-atom-scale electronic simulations at finite temperatures.
Investigating cuprate analogues like AgF₂ using random phase approximation and fluctuation exchange to identify high-Tc unconventional superconductors.
Using dynamical mean-field theory (DMFT) to study how dynamic electronic correlation enhances orbital magnetization in layered materials.
Combining deep learning tight-binding Hamiltonians with non-equilibrium Green’s functions to simulate quantum transport in 2D materials at scale.