Computational Scientist | Polymer Physics & Materials Modeling | Scientific Software & HPC
I develop physical models, simulation software, and data-analysis tools for polymers, soft matter, and inorganic nanomaterials. My research combines numerical methods with close collaboration with experimental researchers to understand material structure and behavior.
Alongside research, I have administered a research-group computing cluster, installed scientific applications, supported users, written documentation, and trained students.
Brownpak — Polymer simulation
Fortran software for Brownian dynamics simulations of bead-spring polymers with hydrodynamic interactions. Includes explicit and semi-implicit integration, Cholesky and Krylov methods for Brownian force generation, and several neighbour-search methods.
MCPak — Monte Carlo sampling
Fortran software for sampling coarse-grained polymer configurations, including linear, ring, and graft architectures, with several interaction models and Monte Carlo moves.
FloriPy — Multibody dynamics
Python software for the overdamped dynamics of articulated rigid bodies in viscous flows. Uses constrained multibody dynamics and hydrodynamic drag to study the motion and folding of patterned sheets.
NPLSizer — Microscopy image analysis
Python application for semi-automated sizing of rectangular nanoplatelets from microscopy images. Combines image processing, segmentation, and interactive correction using napari, scikit-image, and OpenCV.
Ribbon — Nanoplatelet geometry
Python package for generating idealized nanoplatelet shapes and atomic configurations directly from geometrical parameters. Supports helical, helicoidal, cylindrical, and spiral shapes for structural and scattering analysis.
Rotlib — Rotation representations
A numerical library with C, Fortran, and Python implementations for converting between quaternions, Euler angles, rotation matrices, and axis-angle representations. Includes tests and API documentation.
- Programming: Python, C, Fortran, C++, Bash
- Simulation and HPC: LAMMPS, GROMACS, MPI, OpenMP, BLAS/LAPACK, Intel MKL
- Scientific data analysis: NumPy, SciPy, pandas, PyTorch, scikit-learn
- Image analysis: OpenCV, scikit-image, napari