Sagar Ghorai

4PUBLICATIONS
10CO-AUTHORS
Chemical and thermal processes in energy and combustionContaminant hydrologyMetal organic frameworksTheoretical quantum chemistry
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Publications (4)

|Mar 16, 2026
Toward Reaction Vessel Mimicry: Machine Learning-Assisted Automated Exploration of Alkene Polymerization and Its Transferability.

Sagar Ghorai, Ruben Staub, Yu Harabuchi

|Jan 29, 2025
Molecular dynamics simulations of functionalized hBN nanopores in water: Ab initio force field and implications for water desalination.

Sagar Ghorai, Pradeep Dhondi, Ananth Govind Rajan

|May 25, 2022
Rearrangement of dicarboranyl methyl cation to icosahedral C3 B9 H12 + : An ab initio dynamics view.

D Sravanakumar Perumalla, Sagar Ghorai, Tanmoy Pal

|Sep 26, 2019
Stabilization of Classical [B2 H5 ]- : Structure and Bonding of [(Cp*Ta)2 (B2 H5 )(μ-H)L2 ] (Cp*=η5 -C5 Me5 ; L=SCH2 S).

Koushik Saha, Sagar Ghorai, Sourav Kar

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Frequent Collaborators

2 joint publications

Eluvathingal D Jemmis

1 joint publications

Koushik Saha

1 joint publications

Sourav Kar

1 joint publications

Sundargopal Ghosh