Prof. Alberto Requena Departamento de Química Física. Universidad de Murcia, Spain. Prof. Requena is one of the co-advisor of the Marie Curie project as well as my former PhD Thesis director. He is the leader of the group of Quantum Chemistry, Molecular Spectroscopy and Laser of the Department of Physical Chemistry in Murcia. Prof. José Zúñiga Departamento de Química Física. Universidad de Murcia, Spain. Prof. Zúñiga has been teaching chemistry for more than 20 year at Murcia and he is co-advisor of my Marie Curie project together with prof. Requena. He is a well recognised specialist in the application of computational methods for accurately describing reactions in solvent phase. Prof. Denis Jacquemin CEISAM. Université de Nantes, France. Prof. Jacquemin was my former Postdoc advisor in Nantes. His group is exponentially growing up since he was awarded with one ERC Starting Grant. He is an expert in the development of the time dependent density functional theory (TD-DFT) with more than 250 papers in the most important journals. Dr. Adèle Laurent CEISAM. Université de Nantes, France. Dr. Laurent is a ''Chargée de Recherche'' of CNRS since 2012. During her Postdoc at Anna I.Krylov group, in the Department of Chemistry, University of Southern California, Los Angeles, she is a developer of the Q-Chem code, and particularly of the scheme devoted to describe large biomodels. Prof. José Ruíz Departamento de Química Inorgánica. Universidad de Murcia, Spain. Prof. Ruíz is the leader of the Metallodrugs group based in Murcia. He is in charge of all the experimental work for designing and testing new drugs based on metallic centres as platinum, ruthenium and iridium. His work has been highlighted in the most important journals of the organometallic chemistry field. Dr. Javier Cerezo Departamento de Química Física. Universidad de Murcia, Spain. Dr. Cerezo is the last PhD of the Quantum Group of Murcia. During his PhD he as touched several areas of expertise, including molecular dynamics simulations as well as quantum calculations of several biosystems, with a short stage in the Leif A. Eriksson’s (Sweden) and Fabrizio Santoro’s (Italy) groups. Dr. Horacio E. Pérez-Sánchez Bioinformatics and High Performance Computing Group, UCAM, Spain. Dr. Pérez-Sanches is the leader of one of the most important groups in Spain in the use of High Performance Computing Architectures for the development, acceleration and application of bioinformatics applications, and more specifically in the application of integrated computational-experimental strategy for the discovery of bioactive compounds with desired functional properties. Dr. Julia Contreras-García Laboratoire de Chimie Théorique, UPMC, France. Dr. Contreras-García is “Chargée de Recherche” of CNRS at the biggest Computational Chemistry group based on France. She is one of the main contributors to the NCI Plot program, a very useful code that enables graphical visualization of inter and intramolecular non-covalent interactions in large biosystems.

Prof. Alberto Requena

Departamento de Química Física. Universidad de Murcia, Spain.

Prof. Requena is one of the co-advisor of the Marie Curie project as well as my former PhD Thesis director. He is the leader of the group of Quantum Chemistry, Molecular Spectroscopy and Laser of the Department of Physical Chemistry in Murcia.

Prof. José Zúñiga

Departamento de Química Física. Universidad de Murcia, Spain.

Prof. Zúñiga has been teaching chemistry for more than 20 year at Murcia and he is co-advisor of my Marie Curie project together with prof. Requena. He is a well recognised specialist in the application of computational methods for accurately describing reactions in solvent phase.

Prof. Denis Jacquemin

CEISAM. Université de Nantes, France.

Prof. Jacquemin was my former Postdoc advisor in Nantes. His group is exponentially growing up since he was awarded with one ERC Starting Grant. He is an expert in the development of the time dependent density functional theory (TD-DFT) with more than 250 papers in the most important journals.

Dr. Adèle Laurent

CEISAM. Université de Nantes, France.

Dr. Laurent is a ''Chargée de Recherche'' of CNRS since 2012. During her Postdoc at Anna I.Krylov group, in the Department of Chemistry, University of Southern California, Los Angeles, she is a developer of the Q-Chem code, and particularly of the scheme devoted to describe large biomodels.

Prof. José Ruíz

Departamento de Química Inorgánica. Universidad de Murcia, Spain.

Prof. Ruíz is the leader of the Metallodrugs group based in Murcia. He is in charge of all the experimental work for designing and testing new drugs based on metallic centres as platinum, ruthenium and iridium. His work has been highlighted in the most important journals of the organometallic chemistry field.

Dr. Javier Cerezo

Departamento de Química Física. Universidad de Murcia, Spain.

Dr. Cerezo is the last PhD of the Quantum Group of Murcia. During his PhD he as touched several areas of expertise, including molecular dynamics simulations as well as quantum calculations of several biosystems, with a short stage in the Leif A. Eriksson’s (Sweden) and Fabrizio Santoro’s (Italy) groups.

Dr. Horacio E. Pérez-Sánchez

Bioinformatics and High Performance Computing Group, UCAM, Spain.

Dr. Pérez-Sanches is the leader of one of the most important groups in Spain in the use of High Performance Computing Architectures for the development, acceleration and application of bioinformatics applications, and more specifically in the application of integrated computational-experimental strategy for the discovery of bioactive compounds with desired functional properties.

Dr. Julia Contreras-García

Laboratoire de Chimie Théorique, UPMC, France.

Dr. Contreras-García is “Chargée de Recherche” of CNRS at the biggest Computational Chemistry group based on France. She is one of the main contributors to the NCI Plot program, a very useful code that enables graphical visualization of inter and intramolecular non-covalent interactions in large biosystems.