Hank and Jackson presented at the 87th annual Intercollegiate Student Chemist Conference (ISCC) at Lincoln University and were awarded 2nd Place and Honorable Mention in the computational topic section for their talks! Congratulations Hank and Jackson!!

Our work predicting electronic paddle-wheels in solid-state ion conduction is now published in Nature Communications! Our new perspective creates a universal framework for understanding ion conductivity in both monatomic and molecular solid-state electrolytes. Look out for more exciting work on this topic coming soon!

New paper in the Journal of Chemical Physics 2023 Emerging Investigators Special Collection on speeding up path integral simulations of interfaces.

Harender’s first paper in the group on dielectric saturation in water using the machine learning-based self-consistent neural network potential (SCFNN) is now published in the Journal of Physical Chemistry B! We show that a SCFNN model trained in the linear response regime is transferable to nonlinear response to large applied fields. We also examine classic theories of dielectric saturation and connect to our simulation results.

Our research on nuclear quantum effects on Titan, led by Hank and Atul, was highlighted in NewScientist! Check it out for a quick read on the possible importance of quantum effects in the origins of life at the low temperatures on Titan’s surface.

Our first paper on Titan’s cryominerals in published in ACS Earth & Space Chemistry. We show that the acetylene:ammonia (1:1) co-crystal is a plastic crystal with picosecond ammonia rotational dynamics.