3 citations · 3 across the 2 of their papers we have counts for
3 papers
physics.comp-ph2025
Generative Quasi-Continuum Modeling of Confined Fluids at the Nanoscale
Bugra Yalcin, Ishan Nadkarni, Jinu Jeong +2
We present a data-efficient, multiscale framework for predicting the density profiles of confined fluids at the nanoscale. While accurate density estimates require prohibitively lo…
cond-mat.soft2024
DiffGLE: Differentiable Coarse-Grained Dynamics using Generalized Langevin Equation
Jinu Jeong, Ishan Nadkarni
Capturing dynamical fidelity at the coarse-grained scale remains a central challenge in systematic molecular modelling. The generalized Langevin equation, rooted in the Mori--Zwanz…
cond-mat.stat-mech2023★ 3 cited
A Data-Driven Approach to Coarse-Graining Simple Liquids in Confinement
Ishan Nadkarni, Haiyi Wu, Narayana. R. Aluru
We propose a data-driven framework for identifying coarse-grained (CG) Lennard-Jones (LJ) potential parameters in confined systems for simple liquids. Our approach involves the use…