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6 results in Authors: Joseph Subotnik

Physical Chemistry

Working Paper

Unveiling the Dance of Molecules: Ro-Vibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces

Maxim Sukharev, Joseph Subotnik, Abraham Nitzan

Version 1 posted 05 December 2024

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Physical Chemistry

Working Paper

A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces Within the Anderson-Holstein Model

Junhan Chen, Joseph Subotnik

Version 1 posted 21 March 2023

163

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Theoretical and Computational Chemistry

Working Paper

A Constrained CASSCF(2,2) Approach to Study Electron Transfer between a Molecule and Metal Cluster

Xinchun Wu, Junhan Chen, Joseph Subotnik

Version 1 posted 19 July 2024

150

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Theoretical and Computational Chemistry

Working Paper

INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations

Vale Cofer-Shabica, Maximilian Menger, Qi Ou, Yihan Shao, Joseph Subotnik, Shirin Faraji

Version 1 posted 02 March 2022

191

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Citations

Theoretical and Computational Chemistry

Working Paper

Methods to Calculate Electronic Excited-state Dynamics For Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase

Hsing-Ta Chen, Junhan Chen, Vale Cofer-Shabica, Zeyu Zhou, Vishikh Athavale, Gregory Medders, Maximilian Menger, Joseph Subotnik, Zuxin Jin

Version 2 posted 15 February 2022

346

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Physical Chemistry

Working Paper

Dissociation slowdown by collective optical response under strong coupling conditions

Maxim Sukharev, Joseph Subotnik, Abraham Nitzan

Version 1 posted 26 October 2022

105

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6 results in Joseph Subotnik in Authors: Joseph Subotnik

Unveiling the Dance of Molecules: Ro-Vibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic Interfaces

A Dynamically Weighted Constrained Complete Active Space Ansatz for Constructing Multiple Potential Energy Surfaces Within the Anderson-Holstein Model

A Constrained CASSCF(2,2) Approach to Study Electron Transfer between a Molecule and Metal Cluster

INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations

Methods to Calculate Electronic Excited-state Dynamics For Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of Phase

Dissociation slowdown by collective optical response under strong coupling conditions

6 results in Authors: Joseph Subotnik