1 citations · 1 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2025★ 1 cited
Martini Mapper: An Automated Fragment-Based Framework for Developing Coarse-Grained Models within the Martini 3 Framework
Kevin V. Bigting, Shubhadeep Nag, Yaxin An
Coarse-graining (CG) reduces molecular details to extend the time and length scales of molecular dynamics simulations to microseconds and micrometers. However, the CG approaches ha…
physics.chem-ph2025
Energy Efficiency of Hydrocarbon Isomer Separation via Levi-Blow Mechanism: Benchmarking Against Conventional Methods
Shubhadeep Nag, Yashonath Subramanian
Separation of hydrocarbon isomers with closely matched physicochemical properties remains an energetically demanding challenge in the petrochemical refineries. This study presents…
astro-ph.GA2024
Deciphering Interstellar Ice Morphology: Atomistic Simulations Reveal the Complex Behavior of Ethanethiol
Jeet Majumdar, Shubhadeep Nag, Tejender S Thakur +3
Ethanethiol (CHSH), a molecule detected in the interstellar medium (ISM), indicates the rich chemistry involving sulfur atoms. However, its behavior at low temperatures rem…