Rakesh Pant

Employment

• Shyam Lal College, University of Delhi Assistant Professor
  2023 - Present

Education

• Indian Institute of Science Education Research Pune Ph.D Student
  2013 - 2020
• Indian Institute of Technology, Roorkee M.Sc.
  2011 - 2013
• Kirori Mal College, University of Delhi B.Sc(Hons)
  2008 - 2011

Projects & Funding

Projects & funding information is unavailable.

Publications (13)

• Efficient State-Specific Natural Orbital Based Equation of Motion Coupled Cluster Method for Core-Ionization Energies: Theory, Implementation, and Benchmark
  Journal of Chemical Theory and Computation 2024 DOI: 10.1021/acs.jctc.4c00546
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• Pair Natural Orbital Equation-of-Motion Coupled-Cluster Method for Core Binding Energies: Theory, Implementation, and Benchmark
  J. Chem. Theory Comput. 2022
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• Ultrafast Proton-Transfer Reaction in Phenol–(Ammonia)n Clusters: An Ab Initio Molecular Dynamics Investigation
  The Journal of Physical Chemistry B 2022 DOI: 10.1021/acs.jpcb.1c09700
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• Isolation of a Telluroxane Cluster [(R2TeO)(μ-TeO2)(OTeR2)][TeO(OH)2] (R=C6H5NNC6H4) Stabilized by Intra- and Intermolecular Secondary Bonding Interactions: Molecular and Electronic Structure Analysis
  Polyhedron 2021 DOI: 10.1016/j.poly.2021.115037
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• Multiscale Modeling Examples: New Polyelectrolyte Nanocomposite Membranes for Perspective Fuel Cells and Flow Batteries
  Theory and Modeling of Polymer Nanocomposites 2021 DOI: 10.1007/978-3-030-60443-1_6
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• Computational investigation of a protic ionic liquid doped poly-benzimidazole fuel cell electrolyte
  Journal of Molecular Liquids 2020 DOI: 10.1016/j.molliq.2020.113686
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• Charge delocalization effects on Nafion structure and water /proton dynamics in hydrated environments
  Fluid Phase Equilibria 2020 DOI: 10.1016/j.fluid.2019.112340
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• Nanostructure and Dynamics of Humidified Nafion/Graphene-Oxide Composites via Molecular Dynamics Simulations
  The Journal of Physical Chemistry C 2018 DOI: 10.1021/acs.jpcc.8b07170
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• Novel polyelectrolyte membranes for fuel and flow batteries: Insights from simulations
  AIP Conference Proceedings 2018 DOI: 10.1063/1.5045866
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• Atomistic simulation study of the hydrated structure and transport dynamics of a novel multi acid side chain polyelectrolyte membrane
  International Journal of Hydrogen Energy 2017 DOI: 10.1016/j.ijhydene.2017.09.078
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