Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
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.
Controller for a Legato 100 syringe pump, commonly used in flow chemistry experiments
Multimodal Machine Learning for Soft High-k, Low-Modulus Polymers under Data Scarcity
NeurIPS Open Polymer Prediction 2025 - Complete Solution Documentation
Trajectory matching and Bayesian parametrisation to construct coarse-grained force field for polymer systems
Core scripts for FluoroMatch, LipidMatch, and PolyMatch
Fortran code applying the finite element method to run three-dimensional calculations based on self-consistent field theory.
Software for Polymerization and Reaction Kinetics Simulations
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
This repository contains the code files of the Chemical engineering Summer Project
Kaggle Bronze Medal solution for NeurIPS Open Polymer Prediction 2025 with molecular descriptors, GNN, CatBoost/XGBoost ensemble.
A series of codes that analyze the output of a LAMMPS simulation of mucus.
My project for the Science Undergraduate Laboratory Internship program at Argonne National Laboratory
A specialized collection of non-traditional optical materials (thermosets, thermoplastics, gels, and fluids) for Zemax
🧪 Physics-Informed LSTM for Polymer Rheology | Burgers Model + Augmented Lagrangian | R²=0.9819 | MDPI
The Python package for the uFJC single-chain model.
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