Projects

A quantum transport code for simulating electron transport through molecular junctions using the non-equilibrium Green's function formalism. Written in Python and leveraging the JAX computational framework, this package provides a flexible and fast framework for studying quantum phenomena in nanoscale devices.

Graph Neural Network Nucleic Acid Transport, using physics-informed neural network architectures to model electronic properties of DNA

A Python package for performing molecular dynamics simulations of metal mediated DNA strands using a patch on the existing MCPB.py package in AmberTools