2 citations · 2 across the 2 of their papers we have counts for
2 papers
physics.bio-ph2021
Accelerating all-atom simulations and gaining mechanistic understanding of biophysical systems through State Predictive Information Bottleneck
Shams Mehdi, Dedi Wang, Shashank Pant +1
An effective implementation of enhanced sampling algorithms for molecular dynamics simulations requires a priori knowledge of the approximate reaction coordinate describing the rel…
cond-mat.soft2016★ 2 cited
Breakdown of 1D water wires inside Charged Carbon Nanotubes
Shashank Pant
Using Molecular Dynamics approach we investigated the structure, dynamics of water confined inside pristine and charged 6,6 carbon nanotubes (CNTs). This study reports the breakdow…