Explore projects

Ab Initio Augmented Structure Solving Engine

Hybrid methodology combining Empirical Potential-based Structure Refinement (EPSR) fitting of total scattering data with first-principles quantum mechanical calculations (Density Functional Theory).

Stable and closed version of the AIASSE package (v1.0)

Grant Lab HeatMap generation tool

Corrected Meta Analysis (CMA) on Snakemake

Python code for fitting optical tweezers data using the twistable worm-like chain (tWLC) model. Improves parameter estimation by utilizing informed initial guesses from a pre-fit standard worm-like chain model.