Research Group
We develop advanced electronic structure methods for computing physical properties of materials, with a focus on novel excitations and quantum transport.
Research Areas
Implementation of linear-response density functional perturbation theory for computing phonon frequencies, electron-phonon coupling, and dielectric properties. Development of efficient algorithms for large-scale ab initio calculations.
Development of advanced numerical methods for Brillouin zone integration, including recursive hybrid tetrahedron methods and adaptive smearing techniques for accurate electronic structure calculations.
Neural network representations of electronic structure and machine learning approaches for accelerating first-principles calculations and predicting material properties.
First-principles study of spin dynamics in magnetic materials using adiabatic approximation. We investigate magnon excitations in quantum magnets, including Kitaev materials and frustrated spin systems. Our work includes topological magnon bands, magnon-phonon interactions, and non-collinear magnetic structures.
Study of excitonic effects in two-dimensional materials and heterostructures. We investigate interlayer excitons, valley-selective optical response, and strain-engineered exciton dynamics in transition metal dichalcogenides and related systems.
Investigation of charge density wave (CDW) instabilities in low-dimensional materials. We study the interplay between CDW, superconductivity, and electronic structure in kagome metals, transition metal dichalcogenides, and Weyl semimetals.
Development of Kubo formula implementations with vertex corrections for computing electrical conductivity, Hall effects, and magnetotransport. We focus on anomalous Hall effect in magnetic materials and planar Hall effect in Weyl semimetals.
Study of inter-layer Coulomb drag in double-layer graphene and other 2D material heterostructures. We investigate quantum interference effects and Berry phase contributions to drag transport.
Computation of thermoelectric coefficients and lattice thermal conductivity. We study electron-phonon coupling effects on thermal transport and the spin Seebeck effect in magnetic insulators.
Transition metal dichalcogenides (MoS₂, WSe₂, NbSe₂), black phosphorus, and graphene heterostructures. Valley physics and layer-dependent properties.
Type-I and Type-II Weyl semimetals including MoTe₂, TaIrTe₄, and HfTe₅. Chiral anomaly, Fermi arcs, and nonlinear optical response.
Kagome metals and superconductors including CsV₃Sb₅ family. Charge density waves, superconductivity, and frustrated magnetism.
Kitaev materials (α-RuCl₃), quantum spin liquids, and frustrated magnets. Bond-dependent anisotropic interactions and spin fractionalization.