Publications (6)
NAVIS: A LAMMPS-Python framework for efficient computation of nanochannel velocity and thermal interfacial slip
Sleeba Varghese, Sobin Alosious, Jesper Schmidt Hansen +1
We present NAVIS (NAnochannel Velocity and thermal Interfacial Slip), a LAMMPS-Python scripted toolkit for computing the Navier (hydrodynamic) friction coefficient and Kapitza (the…
Study of the Molecular Level Mechanism of Nanoscale Alternating Current Electrohydrodynamic Flow
Sobin Alosious, Fiach Antaw, Matt Trau +2
This study investigates the molecular-level mechanism of Alternating Current Electrohydrodynamic (AC-EHD) flow in nanopores under high-frequency conditions, using molecular dynamic…
Open Polymer Challenge: Post-Competition Report
Gang Liu, Sobin Alosious, Subhamoy Mahajan +9
Machine learning (ML) offers a powerful path toward discovering sustainable polymer materials, but progress has been limited by the lack of large, high-quality, and openly accessib…
Effects of electrostatic interactions on Kapitza resistance in hexagonal boron nitride-water interfaces
Sobin Alosious, Sridhar Kumar Kannam, Sarith P. Sathian +1
Electrostatic interactions in nanoscale systems can influence the heat transfer mechanism and interfacial properties. This study uses molecular dynamics simulations to investigate…
ADEPT-PolyGraphMT: Automated Molecular Simulation and Multi-Task Multi-Fidelity Machine Learning for Polymer Property Generation and Prediction
Sobin Alosious, Yuhan Liu, Jiaxin Xu +4
The discovery of polymers with targeted properties is challenged by the vast chemical design space and the limited availability of consistent, high-quality data across multiple pro…
Interfacial Thermal Transport and Electrical Performance of Supercapacitors with Graphene/Carbon Nanotube Composite Electrodes
Sobin Alosious, Shern R. Tee, Debra J. Searles
Advanced supercapacitors have great potential to transform how we store and utilize energy, leading to more efficient and sustainable energy systems. This study reveals the structu…