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7 results in Authors: Eduarda Sangiogo Gil

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

420

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Theoretical and Computational Chemistry

Working Paper

Investigating the photodynamics of trans-azobenzene with coupled trajectories

Carlotta Pieroni, Eduarda Sangiogo Gil, Lea-Maria Ibele, Maurizio Persico, Giovanni Granucci, Federica Agostini

Version 1 posted 11 September 2023

172

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Theoretical and Computational Chemistry

Working Paper

Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method

Hans Georg Gallmetzer, Eduarda Sangiogo Gil, Leticia González

Version 1 posted 16 October 2024

141

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Theoretical and Computational Chemistry

Working Paper

Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics

Eduarda Sangiogo Gil, David Lauvergnat, Federica Agostini

Version 2 posted 21 June 2024

271

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Theoretical and Computational Chemistry

Working Paper

Excitonic Approach for Nonadiabatic Dynamics: Extending Beyond the Frenkel Exciton Model

Eduarda Sangiogo Gil, Andrea Giustini, Davide Accomasso, Giovanni Granucci

Version 1 posted 09 July 2024

220

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Theoretical and Computational Chemistry

Working Paper

SHARC meets TEQUILA: Mixed Quantum-Classical Dynamics on a Quantum Computer using a Hybrid Quantum-Classical Algorithm

Eduarda Sangiogo Gil, Markus Oppel, Jakob S. Kottmann, Leticia González

Version 1 posted 29 July 2024

395

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Theoretical and Computational Chemistry

Review

Simulations of photoinduced processes with the exact factorization: State of the art and perspectives

Lea Maria Ibele, Eduarda Sangiogo Gil, Evaristo Villaseco Arribas, Federica Agostini

Version 1 posted 24 June 2024

116

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7 results in Eduarda Sangiogo Gil in Authors: Eduarda Sangiogo Gil

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

Investigating the photodynamics of trans-azobenzene with coupled trajectories

Photoisomerization Dynamics of Azo-Escitalopram Using Surface Hopping and a Semiempirical Method

Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics

Excitonic Approach for Nonadiabatic Dynamics: Extending Beyond the Frenkel Exciton Model

SHARC meets TEQUILA: Mixed Quantum-Classical Dynamics on a Quantum Computer using a Hybrid Quantum-Classical Algorithm

Simulations of photoinduced processes with the exact factorization: State of the art and perspectives

7 results in Authors: Eduarda Sangiogo Gil