MetaSimulation of NonEquilibrium Processes

The MSNEP Group


Recent News

April 30, 2026

Congratulations to Arthea and Kithma on Exciting Next Steps

We are excited to share some fantastic news! Arthea will be heading to Harvard Medical School to pursue a graduate degree in data science, while Kithma will be joining Genentech this summer as an intern. Kithma was also recently named a finalist in the 3MT competition. Congratulations to Arthea and Kithma on these well-deserved accomplishments!


February 3, 2026

New paper published in Soft Matter!

Read the paper here: Programming entropy production hotspots via interaction patterning


November 5, 2025

New paper published in J Phys Chem Lett!

Read the paper here: Mini Review: Synergizing Driven Quantum Dynamics, AI, and Quantum Computing for Next-Gen Materials Science


October 1, 2025

New ACS PRF grant on generative AI!

We develop new strategies based on generative AI to design inhibitors to prevent aggregation processes.


February 28, 2025

New grant on electrically-driven reflection biomimicry!

We develop an integrated polymer synthesis-optical modeling-machine learning strategy design tunable polymer-nanoparticle composites with reflective properties that can be controlled by electrical actuation. Read more here.


August 15, 2024

DOE project on active matter renewed!

Living systems have the unique ability to form hierarchical assemblies, in which individual constituents can perform tasks cooperatively and emergently. Read more here.


AI/ML & Stat. Mech. book published!

Read the book here. Molecular Networking: Statistical Mechanics in the Age of AI and Machine Learning


Our first book is now available!

A Mole of Chemistry: An Historical and Conceptual Approach to Fundamental Ideas in Chemistry is intended for students in their undergraduate years who need to learn the basics of chemistry. The book makes use of context found in history, philosophy and the arts to better understand their developments, and with as few mathematical equations as possible. Read more here.


On the cover of Physical Review Letters!

Our work sheds light on the "Unusual Crystallization Behavior Close to the Glass Transition". Read the paper here