Multiscale Nano Group News

Congratulations to Anshul! His work on understanding and tuning Coulomb drag at interfaces just appeared in the journal Applied Physics Letters!

Congratulations to Anshul, JP, and Mohan on receiving the Philip C. and Linda L. Lewis Foundation Graduate Fellowship in Mechanical Engineering!

Congratulations to Hananeh! Her work on developing deep learning potentials to study IR spectra of an ionic liquid ion pair just appeared in the Journal of Chemical Theory and Computation!

Congratulations to Professor Min, a PhD alumnus of the group! He just moved to Yonsei University as an Associate Professor in the School of Mechanical Engineering!

Check out the group’s work on generative AI models with physics informed priors for molecular denoising which just appeared in the Journal of Physical Chemistry Letters!

Congratulations to JP! His work, where he introduces a Thermal Energy Constraint (TEC) for thermostatting nonequilibrium molecular dynamics (NEMD) simulations, just appeared in the Journal of Chemical Physics!

Congratulations to John! His work on atomistic simulations to determine mechanical and transport properties of Hemoglobin (Hb) based oxygen carriers (HBOC) just appeared in the Journal of Physical Chemistry B!

Congratulations to Archith! His work on proton permeation through a 2D hexagonal boron nitride membrane just appeared in the Journal of Physical Chemistry C!

Congratulations to Jinu and Chenxing! Their work on data-driven molecular dynamics for water isotope separation using a catalytically active ultrathin membrane just appeared in Physical Chemistry Chemical Physics!

Check out the group’s work on Structure + Dynamics preserving coarse-grained (CG) molecular method which just appeared in the Journal of Physical Chemistry A!