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Ignacio Fdez Galván

Showing results (1-10 of 48) with videos related to

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Journal of Chemical Theory and Computation|May 16, 2023
Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection OptimizationIgnacio Fdez Galván, Roland Lindh
Journal of Computational Chemistry|June 5, 2007
Improving the efficiency of the NEB reaction path finding algorithmIgnacio Fdez Galván, Martin J Field
Journal of Computational Chemistry|July 4, 2015
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigationMichael Stenrup, Roland Lindh, Ignacio Fdez Galván
Journal of Chemical Theory and Computation|December 31, 2020
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced KrigingIgnacio Fdez Galván, Gerardo Raggi, Roland Lindh
Journal of Chemical Theory and Computation|December 8, 2025
Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust ConvergenceIgnacio Fdez Galván, Daniel Weßling, Roland Lindh
Physical Chemistry Chemical Physics : PCCP|January 6, 2022
Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanesIgnacio Fdez Galván, Anders Brakestad, Morgane Vacher
The Journal of Physical Chemistry. A|February 18, 2026
A Graph-Based Algorithm for Computing Matrix Elements of Arbitrary Operators between Configuration State FunctionsIgnacio Fdez Galván, Mitra Rooein, Roland Lindh
The Journal of Physical Chemistry. B|January 25, 2013
Theoretical study of the preferential solvation effect on the solvatochromic shifts of para-nitroanilineSamuel Frutos-Puerto, Manuel A Aguilar, Ignacio Fdez Galván
Journal of Chemical Theory and Computation|November 28, 2015
Theoretical Study of the Dual Fluorescence of 4-(N,N-Dimethylamino)benzonitrile in SolutionIgnacio Fdez Galván, M Elena Martín, Manuel A Aguilar
Journal of Computational Chemistry|September 22, 2005
Framework-based design of a new all-purpose molecular simulation application: the Adun simulatorMichael A Johnston, Ignacio Fdez Galván, Jordi Villà-Freixa
Pageof 5

Showing results (1-10 of 48) with videos related to

Sort By:
Pageof 5
Journal of Chemical Theory and Computation|May 16, 2023
Smooth Things Come in Threes: A Diabatic Surrogate Model for Conical Intersection OptimizationIgnacio Fdez Galván, Roland Lindh
Journal of Computational Chemistry|June 5, 2007
Improving the efficiency of the NEB reaction path finding algorithmIgnacio Fdez Galván, Martin J Field
Journal of Computational Chemistry|July 4, 2015
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigationMichael Stenrup, Roland Lindh, Ignacio Fdez Galván
Journal of Chemical Theory and Computation|December 31, 2020
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced KrigingIgnacio Fdez Galván, Gerardo Raggi, Roland Lindh
Journal of Chemical Theory and Computation|December 8, 2025
Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust ConvergenceIgnacio Fdez Galván, Daniel Weßling, Roland Lindh
Physical Chemistry Chemical Physics : PCCP|January 6, 2022
Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanesIgnacio Fdez Galván, Anders Brakestad, Morgane Vacher
The Journal of Physical Chemistry. A|February 18, 2026
A Graph-Based Algorithm for Computing Matrix Elements of Arbitrary Operators between Configuration State FunctionsIgnacio Fdez Galván, Mitra Rooein, Roland Lindh
The Journal of Physical Chemistry. B|January 25, 2013
Theoretical study of the preferential solvation effect on the solvatochromic shifts of para-nitroanilineSamuel Frutos-Puerto, Manuel A Aguilar, Ignacio Fdez Galván
Journal of Chemical Theory and Computation|November 28, 2015
Theoretical Study of the Dual Fluorescence of 4-(N,N-Dimethylamino)benzonitrile in SolutionIgnacio Fdez Galván, M Elena Martín, Manuel A Aguilar
Journal of Computational Chemistry|September 22, 2005
Framework-based design of a new all-purpose molecular simulation application: the Adun simulatorMichael A Johnston, Ignacio Fdez Galván, Jordi Villà-Freixa
Pageof 5