Pavan Ravindra

Chemical Physics PhD student in the Reichman Group @Columbia | Formerly @Cambridge_Uni, @tiwarylab

[Venkat Kapil @venkatkapil24]

We study #quantum nuclear effects (NQEs) for proton disorder in nanoconfined water. @pavanravindra1 uses #MachineLearning potentials to show NQEs play a heightened role compared to bulk and induce superionic proton transport in other molecular water.

https://t.co/WXwLDSjF25

[Pavan Ravindra @pavanravindra1]

References:
[1] Jiang et al. First-principles molecular dynamics simulations of the spontaneous freezing transition of 2D water in a nanoslit. JACS, 2021.
[2] Kapil et al. The first-principles phase diagram of monolayer nanoconfined water. Nature, 2022.

[Pavan Ravindra @pavanravindra1]

How does hydrogen bonding change when water is confined to nanometer-scale pockets?
Our recent work in @NatureComms highlights several interesting hydrogen bonding behaviors in nanoconfined water (1/N): https://t.co/p2XJO3KLUh
@XavierAdvincula @ChristophSchran @venkatkapil24

[Pavan Ravindra @pavanravindra1]

At even higher temperatures, we see (almost) a complete loss of ordering in the dipoles of the flat-rhombic phase. The resulting free energy profiles look similar to the familiar Landau free energy curves from the order-disorder phase transition in the Ising model!

[Venkat Kapil @venkatkapil24]

Is ice a primarily hydrogen bonded? @pavanravindra1 @XavierAdvincula challenge this idea. In nanoscale confinement, it turns into a 1D hydrogen bonded material with vdW stabilized chains!

https://t.co/cUbNYF8R90

More coming from Pavan's MPhil @icegroupcam @ChemCambridge !

[Pavan Ravindra @pavanravindra1]

Thrilled to share that I was awarded the DOE CSGF! This will provide funding for the rest of my PhD so I thought it would be worthy of a first tweet :) More info on the fellowship and the other people who won it this year:

https://t.co/CbS6EQM45G