Our work with the Markland group at Stanford now published in the Journal of Physical Chemistry Letters uses machine learning frameworks to dramatically accelerate the simulation of multidimensional...

In this manuscript, we develop a novel computational approach for simulating nonlinear optical spectra in the condensed phase. Nonlinear spectroscopy techniques such as 2D electronic spectroscopy...

Welcome! Prachi recieved her Ph.D. in Applied Math at Stony Brook University and will be joining forces with Christine, Karnamohit, and Professor Harish Bhat to use data science and machine learning...

Christine writes a perspective in Science for some cool science that showcases solvated electrons becoming metallic. 

In this study published in PCCP, led by Professor Provorse Long and students at UCA, we demonstrate that the size and flexibility of the first solvation shell of alkaline earth metal ions is key to...