Welcome!

The Jayaraman research group is led by Prof. Arthi Jayaraman who is a full professor 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.

All Research Publications

Past Talks Recordings:

NSF-NRT Graduate Traineeship on Computing and Data Science for Soft Materials

Prof. Arthi Jayaraman is the director for a UD based graduate traineeship funded by NSF on Computing and Data Science Training for Soft Materials Innovation, Discovery, and Analytics. 

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