Zuzanna Jedlinska, Ph.D.

Research Associate
High Performance Computing

I have recently completed my PhD at the University of Pennsylvania, where I was a part of the Riggleman research group. My work focused on developing and optimizing our group’s molecular dynamic software – MATILDA.FT. MATILDA.FT is written in CUDA and C++ and is designed to allow for efficient simulation of mesoscopic polymer systems. It achieves its performance through GPU acceleration and coarse-graining of the simulated systems.

I first came to TACC as a Frontera Fellowship Fellow in 2023, where I could test and optimize MATILDA on the state-of-the-art NVIDIA GPUs, including the new Grace-Hopper nodes.

I joined the TACC team in early April as a part of the high-performance computing group. I work on accelerating existing GPU software and develop new code to support scientific research.

Selected Publications

Jedlinska, Zuzanna M, and Robert A Riggleman. 2023. “The Effect of Monomer Polarizability on the Stability and Salt Partitioning in Model Coacervates.” Soft Matter 19 (36): 7000–7010.

Jedlinska, Zuzanna M, Christian Tabedzki, Colin Gillespie, Nathaniel Hess, Anita Yang, and Robert A Riggleman. 2023. “MATILDA.FT: A Mesoscale Simulation Package for Inhomogeneous Soft Matter.” The Journal of Chemical Physics 159 (1).

Jedlinska, Zuzanna M., and Robert A. Riggleman. 2024. “Effects of Associative Interactions on the Phase Behavior of Complex Coacervates.” Macromolecules 57 (9): 4323–34.

Current Projects

Development and optimization of MATILDA.FT – molecular dynamics software for coarse-grained simulations of polymer systems

Areas of Research

High Performance Computing

Software development and optimization

Molecular dynamics simulations of biomolecules