Publications by authors named "Guillermo Albareda"

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Optimal Oriented External Electric Fields to Trigger a Barrierless Oxaphosphetane Ring Opening Step of the Wittig Reaction.
Josep Maria Bofill, Marco Severi, Wolfgang Quapp, Jordi Ribas-Ariño, Ibério de P R Moreira, Guillermo Albareda

Chemistry· May 2024

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An algorithm to find the optimal oriented external electrostatic field for annihilating a reaction barrier in a polarizable molecular system.
Josep Maria Bofill, Marco Severi, Wolfgang Quapp, Jordi Ribas-Ariño, Ibério de P R Moreira, Guillermo Albareda

J Chem Phys· September 2023

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Highly Adiabatic Time-Optimal Quantum Driving at Low Energy Cost.
Lluc Garcia, Josep Maria Bofill, Ibério de P R Moreira, Guillermo Albareda

Phys Rev Lett· October 2022

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Controlling Chemical Reactivity with Optimally Oriented Electric Fields: A Generalization of the Newton Trajectory Method.
Josep Maria Bofill, Wolfgang Quapp, Guillermo Albareda, Ibério de P R Moreira, Jordi Ribas-Ariño

J Chem Theory Comput· February 2022

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Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics.
Guillermo Albareda, Kevin Lively, Shunsuke A Sato, Aaron Kelly, Angel Rubio

J Chem Theory Comput· December 2021

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Simulating Vibronic Spectra without Born-Oppenheimer Surfaces.
Kevin Lively, Guillermo Albareda, Shunsuke A Sato, Aaron Kelly, Angel Rubio

J Phys Chem Lett· April 2021

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Scattering in Terms of Bohmian Conditional Wave Functions for Scenarios with Non-Commuting Energy and Momentum Operators.
Matteo Villani, Guillermo Albareda, Carlos Destefani, Xavier Cartoixà, Xavier Oriols

Entropy (Basel)· March 2021

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Quantum equilibration of the double-proton transfer in a model system porphine.
Guillermo Albareda, Arnau Riera, Miguel González, Josep Maria Bofill, Iberio de P R Moreira

Phys Chem Chem Phys· October 2020

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Effective 1D Time-Dependent Schrödinger Equations for 3D Geometrically Correlated Systems.
Devashish Pandey, Xavier Oriols, Guillermo Albareda

Materials (Basel)· July 2020

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Interplay between the Gentlest Ascent Dynamics Method and Conjugate Directions to Locate Transition States.
Josep Maria Bofill, Jordi Ribas-Ariño, Rosendo Valero, Guillermo Albareda, Ibério de P R Moreira

J Chem Theory Comput· October 2019

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Conditional Born-Oppenheimer Dynamics: Quantum Dynamics Simulations for the Model Porphine.
Guillermo Albareda, Josep Maria Bofill, Ivano Tavernelli, Fermin Huarte-Larrañaga, Francesc Illas

J Phys Chem Lett· May 2015

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Correlated electron-nuclear dynamics with conditional wave functions.
Guillermo Albareda, Heiko Appel, Ignacio Franco, Ali Abedi, Angel Rubio

Phys Rev Lett· August 2014

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