Shivam Parashar

Currently, I am a software developer at Lam Research Corporation. My Ph.D. in chemical engineering holds significant practical implications for various energy and environmental applications spanning from gas separations, energy, and gas storage on nanoporous adsorbents to carbon dioxide sequestration and enhanced gas recovery from shale and coal reservoirs. My work focussed on theoretical studies of adsorption in two types of nanoporous materials: Metal-organic frameworks (MOFs) and Kerogens. I used the Monte Carlo, Molecular Dynamics, Density Functional Theory and Machine learning to model the nanoscale systems and predict their properties.

news

Jun 17, 2024	Shivam Joins Lam Research, a semiconductor company, as a computational modeling and software engineering expert.
Jun 7, 2024	Shivam defends his Ph.D. titled, “Molecular Simulations based Pore Structure Characterization of Nanoporous Materials” at Rutgers University.
May 21, 2024	Shivam won the 3rd best poster award for PyCOSMOS: A Python Tool for Compartmentalization of Unit Cells of Metal-Organic Frameworks, Presented at the 9th Characterization of Porous Materials Conference.
Feb 6, 2024	Our cover art associated with the manuscript, Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials has been selected as a front cover for the Journal of Chemical Information and Modeling. (see cover)

selected publications

Unveiling non-monotonic deformation of flexible MOFs during gas adsorption: From contraction and softening to expansion and hardening

Shivam Parashar, Nicholas J. Corrente, and Alexander V. Neimark

Journal of Colloid And Interface Science, 2025

Bib HTML

@article{flexible_irmof-1,
  title = {Unveiling non-monotonic deformation of flexible MOFs 
  during gas adsorption: From contraction and softening to expansion and hardening},
  author = {Parashar, Shivam and Corrente, Nicholas J. and Neimark, Alexander V.},
  journal = {Journal of Colloid And Interface Science},
  year = {2025},
  doi = {10.1016/j.jcis.2025.01.228},
}

Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials

Shivam Parashar, and Alexander V. Neimark

Journal of Chemical Information and Modeling, 2024

Bib HTML

@article{compartmentalization,
  title = {Pore Structure Compartmentalization for Advanced Characterization of Metal-Organic Framework Materials},
  author = {Parashar, Shivam and Neimark, Alexander V.},
  journal = {Journal of Chemical Information and Modeling},
  year = {2024},
  doi = {10.1021/acs.jcim.3c01872},
}