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10 results in Authors: Saikat Mukherjee

Theoretical and Computational Chemistry

Working Paper

A Hessian free method to prevent zero-point energy leakage in classical trajectory simulation

Saikat Mukherjee, Mario Barbatti

Version 1 posted 05 January 2022

346

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Theoretical and Computational Chemistry

Working Paper

Ultrafast internal conversion without energy crossing

Saikat Mukherjee, Mario Barbatti

Version 1 posted 27 June 2022

247

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Theoretical and Computational Chemistry

Working Paper

Assessing Nonadiabatic Dynamics Methods in Long Timescales

SAIKAT MUKHERJEE, Yorick Lassmann, Rafael S. Mattos, Baptiste Demoulin, Basile F. E. Curchod, Mario Barbatti

Version 1 posted 30 September 2024

187

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Theoretical and Computational Chemistry

Working Paper

Conformational Dynamics of the Pyrene Excimer

Giovanni Parolin, Bidhan Chandra Garain, Saikat Mukherjee, Giovanni Granucci, Stefano Corni, Mario Barbatti

Version 1 posted 14 October 2024

144

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Theoretical and Computational Chemistry

Working Paper

ULaMDyn: Enhancing Excited-State Dynamics Analysis Through Streamlined Unsupervised Learning

Max Pinheiro Jr., Matheus O. Bispo, Rafael S. Mattos, Mariana Telles do Casal, Bidhan Chandra Garain, Josene M. Toldo, Saikat Mukherjee, Mario Barbatti

Version 1 posted 21 October 2024

130

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Physical Chemistry

Working Paper

Weak Dewar bond modulates protonated azaindole photodynamics

Ritam Mansour, Saikat Mukherjee, Max Pinheiro Jr, Jennifer A. Noble, Christophe Jouvet, Mario BARBATTI

Version 1 posted 16 March 2022

197

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Theoretical and Computational Chemistry

Working Paper

Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

Gabriel Braun, Itamar Borges Jr., Adelia A. J. Aquino, Hans Lischka, Felix Plasser, Silmar A. do Monte, Elizete Ventura, Saikat Mukherjee, Mario Barbatti

Version 1 posted 25 July 2022

278

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Theoretical and Computational Chemistry

Working Paper

On the short and long phosphorescence lifetimes of aromatic carbonyls

Saikat Mukherjee, Moumita Kar, Mansi Bhati, Xing Gao, Mario Barbatti

Version 1 posted 20 March 2023

368

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Theoretical and Computational Chemistry

Working Paper

The Newton-X platform: new software developments for surface hopping and nuclear ensembles

Mario BARBATTI, Mattia Bondanza, Rachel Crespo-Otero, Baptiste Demoulin, Pavlo Dral, Giovanni Granucci, Fabris Kossoski, Hans Lischka, Benedetta Mennucci, Saikat Mukherjee, Marek Pederzoli, Maurizio Persico, Max Pinheiro Jr, Jiri Pittner, Felix Plasser, Eduarda Sangiogo Gil, Lijljana Stojanovic

Version 1 posted 11 August 2022

430

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Physical Chemistry

Working Paper

Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics

Rafael Souza Mattos, Saikat Mukherjee, Mario Barbatti

Version 1 posted 04 October 2024

163

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10 results in Saikat Mukherjee in Authors: Saikat Mukherjee

A Hessian free method to prevent zero-point energy leakage in classical trajectory simulation

Ultrafast internal conversion without energy crossing

Assessing Nonadiabatic Dynamics Methods in Long Timescales

Conformational Dynamics of the Pyrene Excimer

ULaMDyn: Enhancing Excited-State Dynamics Analysis Through Streamlined Unsupervised Learning

Weak Dewar bond modulates protonated azaindole photodynamics

Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

On the short and long phosphorescence lifetimes of aromatic carbonyls

The Newton-X platform: new software developments for surface hopping and nuclear ensembles

Legion: A Platform for Gaussian Wavepacket Nonadiabatic Dynamics

10 results in Authors: Saikat Mukherjee