Saraf Mohaimen Chowdhury

Quantum Materials & Low-Dimensional Nanoelectronics

Tools & Software

A collection of computational programs, post-processing tools, and visualization software used to study nanoscale systems.

DFT Packages

Gaussian PySCF DMol3 VASP Quantum ESPRESSO

Non-periodic and periodic systems, structural optimization, spin-resolved properties, wavefunction analysis, optical and excitonic properties in low-dimensional materials.

Quantum Transport

TranSIESTA NEGF formalism

Charge and spin transport in nanoelectronic and spintronic devices, modeling current–voltage characteristics under quantum coherent conditions.

Visualization & Analysis

GaussView Multiwfn VESTA Pymatgen GaussSum

Molecular orbitals, density of states, spin density, charge density, and crystal structure visualization.

Programming & Scripting

Python NumPy SciPy Matplotlib ASE Julia Mathematica MATLAB

Data extraction, plotting, analytical solutions, and scripting parameter sweeps.