Ignacio Fdez. Galván

According to our database, Ignacio Fdez. Galván authored at least 6 papers between 2004 and 2016.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2016

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

Francesco Aquilante, Jochen Autschbach, Rebecca K. Carlson, Liviu F. Chibotaru, Mickaël G. Delcey, Luca De Vico, Ignacio Fdez. Galván, Nicolas Ferré, Luis Manuel Frutos, Laura Gagliardi, Marco Garavelli, Angelo Giussani, Chad E. Hoyer, Giovanni Li Manni, Hans Lischka, Dongxia Ma, Per-Åke Malmqvist, Thomas Müller, Artur Nenov, Massimo Olivucci, Thomas Bondo Pedersen, Daoling Peng, Felix Plasser, Ben Pritchard, Markus Reiher, Ivan Rivalta, Igor Schapiro, Javier Segarra-Martí, Michael Stenrup, Donald G. Truhlar, Liviu Ungur, Alessio Valentini, Steven Vancoillie, Valera Veryazov, Victor P. Vysotskiy, Oliver Weingart, Felipe Zapata, Roland Lindh

J. Comput. Chem., 2016

2015

Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation.

Michael Stenrup, Roland Lindh, Ignacio Fdez. Galván

J. Comput. Chem., 2015

A new QM/MM method oriented to the study of ionic liquids.

M. Luz Sánchez, José C. Corchado, M. Elena Martín, Ignacio Fdez. Galván, Rute Barata-Morgado, Manuel A. Aguilar

J. Comput. Chem., 2015

2008

Improving the efficiency of the NEB reaction path finding algorithm.

Ignacio Fdez. Galván, Martin J. Field

J. Comput. Chem., 2008

2005

Framework-based design of a new all-purpose molecular simulation application: The Adun simulator.

Michael A. Johnston, Ignacio Fdez. Galván, Jordi Villà-Freixa

J. Comput. Chem., 2005

2004

A new method to locate saddle points for reactions in solution by using the free-energy gradient method and the mean field approximation.

Ignacio Fdez. Galván, M. Elena Martín, Manuel A. Aguilar

J. Comput. Chem., 2004