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Paper with Harish and Prachi is published in APL Machine Learning and chosen for the cover.

December 01, 2024

cover

Latest News

Two new postdocs join the group - Welcome Ahmed and Chamikara!

July 15, 2025

Dr. Ahmed Elkamshishy got his Ph.D. at Purdue University working with Chris Greene. He will be working with Christine and Professor Harish Bhat in Applied Math to develop models for incorporating...

Read More Two new postdocs join the group - Welcome Ahmed and Chamikara!
Darwin is awarded an NSF Graduate Research Fellowship! Congrats!

June 15, 2025
Andrew is heading to PNNL, while Sayan, Darwin, and Joe head to a MolSSI workshop.

June 01, 2025

Andrew is spending the summer at PNNL working with Britta Johnson. He will be working with i-PI to incorporate PIMD within a QM/MM framework.

Sayan, Darwin, and Joe head to Cal Poly for a MolSSI...

Read More Andrew is heading to PNNL, while Sayan, Darwin, and Joe head to a MolSSI workshop.
Paper published with the Markland group on 2DES simulations using ML MD.

May 28, 2025

In this paper published in JPC Lett, we show that by using an equivariant transformer-based machine learning architecture trained with only 2500 ground state and 100 excited state electronic...

Read More Paper published with the Markland group on 2DES simulations using ML MD.

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