Welcome!
The Jayaraman research group is led by Prof. Arthi Jayaraman who is the Centennial Term Professor for Excellence in Research and Education in the departments of Chemical and Biomolecular Engineering and Materials Science and Engineering at University of Delaware.
Our group’s research interests lie in developing and using computational techniques – molecular modeling, liquid state theory, simulations, and machine learning – to design new materials & better understand their structure, dynamics, and thermodynamics for target applications in energy, optics, photonics, and biomedical fields. We work closely with experimentalists in every project to validate our methods, understand our methods’ strengths and limitations, and provide predictions for our collaborators to test.
Quick Look at the Ongoing Research in the Jayaraman Group
CREASE – Computational Reverse Engineering Analysis for Scattering Experiments – is a method developed by Jayaraman lab members.
- You can visit our github page for the codes and readmedocs for understanding CREASE philosophy
- Relevant publications on development and/or use of CREASE are listed in the CREASE page
Past Talks Recordings:
- You can check out recorded research talks from past & current group members by subscribing to Jayaraman Research Group Youtube channel
- Prof. Arthi Jayaraman’s recent recorded talks
- – Talk on PairVAE & CREASE (August 2023)
- – Talk on CREASE (July 2023)
