Sadanandam Namsani
Cited by
Cited by
Molecular simulation of shale gas adsorption and diffusion in inorganic nanopores
A Sharma, S Namsani, JK Singh
Molecular Simulation 41 (5-6), 414-422, 2015
Removal of heavy metal ions using a functionalized single-walled carbon nanotube: a molecular dynamics study
K Anitha, S Namsani, JK Singh
The Journal of Physical Chemistry A 119 (30), 8349-8358, 2015
Removal of heavy metal ions using functionalized graphene membranes: a molecular dynamics study
A Kommu, S Namsani, JK Singh
Rsc Advances 6 (68), 63190-63199, 2016
Magnetite-coated boron nitride nanosheets for the removal of arsenic (V) from water
RS Bangari, AK Singh, S Namsani, JK Singh, N Sinha
ACS applied materials & interfaces 11 (21), 19017-19028, 2019
Enhancement of thermal energy transport across the Gold–Graphene interface using nanoscale defects: A molecular dynamics study
S Namsani, JK Singh
The Journal of Physical Chemistry C 122 (4), 2113-2121, 2018
An interaction potential to study the thermal structure evolution of a thermoelectric material: β‐Cu2Se
S Namsani, B Gahtori, S Auluck, JK Singh
Journal of computational chemistry 38 (25), 2161-2170, 2017
Electric field induced rotation of halogenated organic linkers in isoreticular metal–organic frameworks for nanofluidic applications
S Namsani, AO Yazaydin
Molecular Systems Design & Engineering 3 (6), 951-958, 2018
Thermal conductivity of thermoelectric material β-Cu2Se: Implications on phonon thermal transport
S Namsani, S Auluck, JK Singh
Applied Physics Letters 111 (16), 163903, 2017
Dewetting dynamics of a gold film on graphene: implications for nanoparticle formation
S Namsani, JK Singh
Faraday discussions 186, 153-170, 2016
Direct Simulation of Ternary Mixture Separation in a ZIF‐8 Membrane at Molecular Scale
S Namsani, A Ozcan, A Yazaydın
Advanced Theory and Simulations 2 (11), 1900120, 2019
Interaction potential models for bulk Zns, Zns nanoparticle, and Zns nanoparticle‐PMMA from first‐principles
S Namsani, NN Nair, JK Singh
Journal of Computational Chemistry 36 (15), 1176-1186, 2015
Extraction of Gd3+ and UO22+ Ions Using Polystyrene Grafted Dibenzo Crown Ether (DB18C6) with Octanol and Nitrobenzene: A Molecular Dynamics Study
P Sappidi, S Namsani, SM Ali, JK Singh
The Journal of Physical Chemistry B 122 (3), 1334-1344, 2018
Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors
A Kumawat, S Namsani, D Pramanik, S Roy, JK Singh
Journal of Biomolecular Structure and Dynamics, 1-12, 2021
Metadynamics-based enhanced sampling protocol for virtual screening: case study for 3CLpro protein for SARS-CoV-2
S Namsani, D Pramanik, MA Khan, S Roy, JK Singh
Journal of Biomolecular Structure and Dynamics, 1-16, 2021
Effect of salt on the adsorption of ionic surfactants at the air-water interface
S Tiwari, S Namsani, JK Singh
Journal of Molecular Liquids, 119498, 2022
Potential drug candidates for SARS-CoV-2 using computational screening and enhanced sampling methods
S Namsani, D Pramanik, MA Khan, S Roy, J Singh
Computational Design of Electric Field Responsive Metal-Organic Frameworks for Directional Flow
S Namsani, B Tam, O Yazaydin
2018 AIChE Annual Meeting, 2018
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Articles 1–17