Dr. Tapas Sahoo
Department of Chemistry · National Institute of Technology Raipur
https://researchid.co/tsahoo23
@nitro.ac.in
20Scopus Publications
349Google Scholar Citations
13Google Scholar h-index
15Google Scholar i10-index
Research Interests
Quantum molecular dynamics simulations for complex many-body systems, parallel algorithmic developments, molecular modelling and simulations.
Recent Scopus Publications
- Effect of neighbouring molecules on ground-state properties of many-body polar linear rotor systems
- Charge Transfer Processes for H + H 2+Reaction Employing Coupled 3D Wavepacket Approach on beyond Born-Oppenheimer Based Ab Initio Constructed Diabatic Potential Energy Surfaces
- A path integral ground state approach for asymmetric top rotors with nuclear spin symmetry: Application to water chains
- A path integral ground state replica trick approach for the computation of entanglement entropy of dipolar linear rotors
- Beyond Born–Oppenheimer theory for spectroscopic and scattering processes
Grants / Consultancy
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Links
- ORCID https://orcid.org/0000-0001-8524-2268
- Google Scholar https://scholar.google.com/citations?user=543UGZsAAAAJ
- Scopus https://www.scopus.com/authid/detail.uri?authorId=38362202800