Consulting Services
Dr. Hasyim offers scientific consulting services and provides computational solutions to difficult scientific and engineering problems. He is active in the area of machine learning, energy storage systems, and computational chemistry. He assists clientele, ranging from independent inventors to startup companies, in developing and evaluating their proprietary technologies through computer simulations.
Dr. Hasyim is open to all areas of science and engineering. Some technical accomplishments include:
- Conducted due diligence on client IP and R&D proposals, assessing scientific soundness, quantitative performance targets, and economic viability to inform go/no-go decisions
- Built an end-to-end virtual drug screening workflow combining structure prediction, docking, and property prediction (AlphaFold, DiffDock, ADMET-AI) with cheminformatics and simulation (RDKit, OpenMM)
- Developed models for battery optimization and electrolyzer design using differentiable simulation frameworks (PyBAMM/PyBOP+JAX) and finite element methods (COMSOL)
- Prototyped an agentic AI workflow for polymer discovery using LangChain and MCP to coordinate multiple tools/models for automated design–evaluate loops
Conflict of Interest Disclosure
Dr. Hasyim was a paid consultant for the following companies:
- HEDI (02/2025 - 02/2026).
- Vivamed (02/2025 - 08/2025)
- Branca Industries (02/2025 - 06/2025).
Client Portfolio
Some examples of projects completed (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 academic research work, Dr. Hasyim develops and contributes to various open-source packages and projects:
SQD-JIT
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 electrochemical capacitors and predicts charge-discharge data.
Contact Form
Interested in working together? Please reach out to discuss your project needs.