MetaSimulation of NonEquilibrium Processes

The MSNEP Group


Recent News

January 19, 2024

New book published!

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


December 10, 2023

New paper in AI Chemistry!

Read the paper here. AI's role in pharmaceuticals: Assisting drug design from protein interactions to drug development


September 21, 2023

New collaborative paper in Soft Matter!

Read the paper here. Microswimmers under the spotlight: interplay between agents with different levels of activity


July 1, 2023

New NSF grant on the design of materials for CO2 reduction!

We develop new strategies to design electrocatalysts from metal nanoclusters and pristine graphene for electrochemical CO2 reduction. Read more here.


March 21, 2023

New DOE grant on active matter!

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


September 1, 2022

New NSF grant on ML for organic crystals!

Ordered arrays of molecules forming structures known as molecular crystals play an essential role in the pharmaceutical, agrochemical, electronics, and defense industries. Read more here.


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

On the cover of J. Am. Chem. Soc.!

The paper focuses on "Unraveling the Coupling between Demixing and Crystallization in Mixtures". Read the paper here.