Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Ordinal Solvation Framework (OSF) for predicting polymer–solvent solvation behaviour using multi-resolution ordinal modelling and continuous interaction coordinates.
Controller for a Legato 100 syringe pump, commonly used in flow chemistry experiments
A Python library for thermal analysis and reaction kinetics. Supports DSC, TGA, and dilatometry with tools for model-fitting (JMAK, Kissinger), model-free (Friedman, KAS, OFW) analysis, data processing, and visualization.
Trajectory matching and Bayesian parametrisation to construct coarse-grained force field for polymer systems
Multimodal Machine Learning for Soft High-k, Low-Modulus Polymers under Data Scarcity
Core scripts for FluoroMatch, LipidMatch, and PolyMatch
NeurIPS Open Polymer Prediction 2025 - Complete Solution Documentation
Fortran code applying the finite element method to run three-dimensional calculations based on self-consistent field theory.
Papers reading roadmap for anyone whose research in the area of polymer simulations!
Influence of charge regulation on conformational ,ionization properties and dynamics of polyelectrolytes
The Python package for the uFJC single-chain model.
Polymerize Atomistic P3HT
This repository contains the code files of the Chemical engineering Summer Project
A series of codes that analyze the output of a LAMMPS simulation of mucus.
Software for Polymerization and Reaction Kinetics Simulations
A specialized collection of non-traditional optical materials (thermosets, thermoplastics, gels, and fluids) for Zemax
My project for the Science Undergraduate Laboratory Internship program at Argonne National Laboratory
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