bdg hamiltonian numerical-methods python python3 sparse-matrix superconductivity tight-binding

alloys band-structure condensed-matter-physics dft-fit disorder electronic-structure physics python simulation slater-koster solid-state-physics tight-binding topology

Mathematics (32%)

automatic-differentiation computational-chemistry pytorch quantum-chemistry tight-binding

bigdft condensed-matter density-functional-theory dft geometry graphene gulp negf physics siesta solid-state solid-state-physics tbtrans tight-binding transiesta vasp wannier90

atomistic-simulations density-functional-theory dftb quantum-mechanics tight-binding

atomistic-simulations computational-chemistry force-field quantum-chemistry tight-binding

electronic-transport greens-functions negf tight-binding

band-structure coupling electronic-structure exchange-interaction excitation magnetism susceptibility tight-binding

monte-carlo quantum-computing quantum-mechanics tight-binding

atomistic-simulations computational-chemistry conformational-analysis metadynamics tight-binding