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Shivam Parashar
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Increased acid dissociation at the quartz/water interface
S Parashar, D Lesnicki, M Sulpizi
The Journal of Physical Chemistry Letters 9 (9), 2186-2189, 2018
232018
Effect of aspect ratio of ellipsoidal particles on segregation of a binary mixture in a rotating drum
S Kumar, S Khatoon, S Parashar, P Dubey, J Yogi, A Anand
Powder Technology 427, 118682, 2023
212023
Monte Carlo Simulations of Nanopore Compartmentalization Yield Fingerprint Adsorption Isotherms as a Rationale for Advanced Structure Characterization of Metal–Organic Frameworks
S Parashar, Q Zhu, S Dantas, AV Neimark
ACS Applied Nano Materials 4 (5), 5531-5540, 2021
112021
Molecular Modeling and Adsorption Characterization of Micro-Mesoporous Kerogen Nanostructures
S Parashar, PI Ravikovitch, AV Neimark
Energy & Fuels 36 (21), 13037-13049, 2022
62022
Thermal Fluctuations and Framework Flexibility of IRMOF-1 upon CH4 and CO2 Adsorption
S Parashar, NJ Corrente, AV Neimark
12024
Pore Structure Compartmentalization for Advanced Characterization of Metal–Organic Framework Materials
S Parashar, AV Neimark
Journal of Chemical Information and Modeling 64 (8), 3260-3268, 2024
12024
Unveiling non-monotonic deformation of flexible MOFs during gas adsorption: From contraction and softening to expansion and hardening
S Parashar, NJ Corrente, AV Neimark
Journal of Colloid and Interface Science, 2025
2025
Modeling Structural Flexibility in 3D Carbon Models: A Hybrid MC/MD Approach to Adsorption-Induced Deformation
N Corrente, S Parashar, R Gough, E Hinks, P Ravikovitch, A Neimark
2024
Modeling Adsorption Equilibrium in Flexible Kerogen Pores Using Hybrid Molecular Dynamics/Monte Carlo
S Parashar, P Ravikovitch, A Neimark
2024 AIChE Annual Meeting, 2024
2024
Thermodynamics and Molecular Modeling of Adsorption Induced Deformation
A Neimark, S Parashar, N Corrente
2024 AIChE Annual Meeting, 2024
2024
Understanding the origins of reversible and hysteretic pathways of adsorption phase transitions in metal-organic frameworks
S Parashar, AV Neimark
Journal of Colloid and Interface Science, 2024
2024
Molecular Simulations Based Pore Structure Characterization of Nanoporous Materials
S Parashar
Rutgers The State University of New Jersey, School of Graduate Studies, 2024
2024
Understanding the Origins of Reversible and Hysteretic Pathways of Adsorption Phase Transitions by Mesocanonical Ensemble Monte Carlo Simulations
S Parashar, AV Neimark
2023
Mesocanonical Ensemble Simulations to Model Adsorption Phase Transitions within Nanopores
S Parashar, A Neimark
2023 AIChE Annual Meeting, 2023
2023
Hybrid MD/MC Simulations of Adsorption on Flexible Nanoporous Materials
S Parashar, A Neimark
2023 AIChE Annual Meeting, 2023
2023
Modeling Kerogen Flexibility upon Gas Adsorption Using Osmotic Ensemble Simulations
S Parashar, P Ravikovitch, A Neimark
2023 AIChE Annual Meeting, 2023
2023
Machine Learning Approach for Construction of Fingerprint Kernels for Pore Structure Characterization of Metal-Organic Frameworks
S Parashar, A Neimark
2022 AIChE Annual Meeting, 2022
2022
Adsorption Based Pore Structure Characterization of Micro-Mesoporous Kerogen Fractions of Shales
S Parashar, PI Ravikovitch, AV Neimark
14th International Conference on Fundamentals of Adsorption, 2022
2022
Revealing Specifics of Gas Adsorption in Metal-Organic Frameworks from Compartmentalization of Adsorption Isotherms
S Parashar, S Venkatraman, FSP Dantas, A Neimark
2021 AIChE Annual Meeting, 2021
2021
Pore Level Decomposition of Adsorption Isotherms in Metal Organic Frameworks
S Parashar, Q Zhu, FSP Dantas, A Neimark
2020 Virtual AIChE Annual Meeting, 2020
2020
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