Welcome To CMTCL

We solve the Hamiltonian of interacting electrons to provide a theoretical description of the physical properties of solids. Generally we use mean-field based methods such as density-functional theory (DFT) and tight-binding models within Hartree-Fock formalism for this purpose. The primary component of my research is to understand the interplay between the spin, charge and lattice degrees of freedom of electrons in crystalline solids. In addition to the electronic structure studies, we are using ab initio molecular dynamics simulation techniques and nudged-elastic band methods to study ion diffusion in cathode materials.