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Sushant Kumar

6 results in Authors: Sushant Kumar

Theoretical and Computational Chemistry

Working Paper

Assessing the accurate exchange-correlation functional in van der Waals TMD Materials AB2 (A = Nb, Ta and B = S, Se, Te)

Sushant Kumar Behera, Praveen C Ramamurthy

Version 1 posted 24 April 2024

153

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Catalysis

Working Paper

Boosting hydrogen production at room temperature by synergizing theory and experimentation

Kavita Thakkar, Abhinav Bajpai, Sushant Kumar, Kavita Joshi

Version 1 posted 18 April 2024

159

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Theoretical and Computational Chemistry

Working Paper

Evaluation performance to assess accurate exchange-correlation functional in van der Waals TMD Materials AB2 (A = Mo, W and B = S, Se and Te)

Sushant Kumar Behera, Praveen C Ramamurthy

Version 1 posted 24 April 2024

109

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Materials Science

Working Paper

Electric Field Driven Interlayer Polarization Effects in Ferromagnetic 2D Van Der Waals Graphene/CrBr3 Heterostructure

Sushant Kumar Behera, Pritam Deb

Version 1 posted 27 June 2019

850

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Physical Chemistry

Working Paper

Influence of intramolecular interactions on carbon dioxide gas adsorption capacity in Mesoporous Imine polymers

Jaya Prakash Madda, Pilli Govindaiah, Sushant Kumar Jena, Sabbhavat Krishna, Rupak Kishor

Version 1 posted 26 January 2018

845

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Theoretical and Computational Chemistry

Working Paper

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identication of Small Molecule Solution-Phase Reactions

Hung Le, Sushant Kumar, Nathan May, Ernesto Martinez-Baez, Ravishankar Sundararaman, Bala Krishnamoorthy, Aurora Clark

Version 1 posted 21 September 2021

285

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6 results in Sushant Kumar in Authors: Sushant Kumar

Assessing the accurate exchange-correlation functional in van der Waals TMD Materials AB2 (A = Nb, Ta and B = S, Se, Te)

Boosting hydrogen production at room temperature by synergizing theory and experimentation

Evaluation performance to assess accurate exchange-correlation functional in van der Waals TMD Materials AB2 (A = Mo, W and B = S, Se and Te)

Electric Field Driven Interlayer Polarization Effects in Ferromagnetic 2D Van Der Waals Graphene/CrBr3 Heterostructure

Influence of intramolecular interactions on carbon dioxide gas adsorption capacity in Mesoporous Imine polymers

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identi cation of Small Molecule Solution-Phase Reactions

6 results in Authors: Sushant Kumar

Behavior of Linear and Nonlinear Dimensionality Reduction for Collective Variable Identication of Small Molecule Solution-Phase Reactions