Consulting Services
I offer scientific consulting services and provide computational solutions to difficult scientific and engineering problems. I am active in the area of machine learning, energy storage systems, and computational chemistry. I assist my clientele, ranging from independent inventors to startup companies, in developing and evaluating their proprietary technologies through computer simulations.
I am open to all areas of science and engineering. Some of my technical accomplishments include:
- Modeled energy storage devices such as fuel cells, electrolyzers, and lithium-ion batteries using Python software stack (PyBAMM/PyBOP) and finite element analysis (COMSOL)
- Built computational drug discovery pipeline integrating protein structure loading, molecular docking, and ADMET analysis using AlphaFold, RDKit, RCSB API, OpenMM, and DiffDock
- Delivered physics-based machine learning solutions for applications ranging from sensor technologies to fraud detection
Conflict of Interest Disclosure
I am currently a paid consultant for Vivamed, Branca Industries, and HEDI.
Client Portfolio
Some examples of projects I’ve worked on (released with client’s consent):
Stability of Planets

Optimized stability of cohorts of planets, orbiting around the sun with the same radius. Simulations done using REBOUND and Bayesian Optimization in scikit-optimize.
Cement Paste Carbonation

Reproduced a 1D PDE reaction-diffusion model of cement paste carbonation and hydration. Calculations done using MATLAB.
Open Source Projects
In addition to my academic research work, I also develop and contribute to various open-source packages and projects:
Semiclassical-NAMD

A Python package to perform non-adiabatic (mixed quantum classical) dynamics. Contributed to MASH implementation.
ParallelSwapMC

A plug-in for HOOMD-Blue to perform the SWAP algorithm in parallel for particles with continuous polydispersity.
PolydisperseMD

A plug-in for HOOMD-Blue to implement pair potentials of particles with continuous polydispersity for molecular dynamics.
PyGlassTools

A Python module for performing data analysis of atomistic trajectories relevant for glasses and supercooled liquids.
PyFDAM

A Python module that fits impedance spectroscopy data of an electrochemical capacitors and predicts charge-discharge data.
Contact Form
Interested in working together? Please reach out to discuss your project needs and how I can help.