Computational Condensed Matter Physics

Pawan PhD Researcher — DFT studies of superconductivity & transport in solids

I study electronic structure, electron–phonon coupling, and charge/thermal transport in quantum materials using first-principles density functional theory — connecting band-structure-level physics to measurable superconducting and transport properties.

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About

I'm a PhD student working in computational solid state physics, using density functional theory (DFT) — and where relevant DFT+DMFT / DFPT — to study the electronic and vibrational properties of quantum materials. My work sits at the interface of electronic structure theory and measurable material behavior: how band structure, Fermi surface topology, and electron–phonon coupling give rise to superconductivity, and how the same first-principles ingredients determine electrical and thermal transport.

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Institution
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Focus
DFT · Superconductivity · Transport
Codes
VASP / QE / WIEN2k (edit to match)
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Research

Electronic structure

DFT & DFT+U methods

First-principles calculation of band structures, density of states, and Fermi surfaces for correlated and weakly-correlated solids, benchmarking exchange–correlation functionals against experiment.

Electron–phonon coupling

Superconductivity

DFPT and Eliashberg-theory based prediction of superconducting transition temperatures, phonon dispersions, and coupling constants (λ) in candidate conventional and unconventional superconductors.

Boltzmann transport

Transport properties

Electrical conductivity, Seebeck coefficient, and thermal transport computed from first-principles band structures via Boltzmann transport theory (e.g. BoltzTraP), linking electronic structure to measurable material response.

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Publications

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Software & tools

VASP Quantum ESPRESSO WIEN2k EPW BoltzTraP2 Wannier90 Python VASPKIT HPC / SLURM MPI / OpenMP
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Education & experience

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