Luque Garriga, Francisco Javier | IQTC - The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona

About
The IQTCUB is integrated by more than 60 researchers, experts in several fields of the Theoretical and Computational Chemistry
- About IQTC
  The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona (IQTCUB) is integrated by more than 60 researchers, experts in several fields of the Theoretical and Computational Chemistry. The research activity carried out at the IQTCUB covers methods and computational tools development, application of several techniques of electronic structures and simulation to problems in materials science, the study of reactivity and reaction dynamics in chemical reactions as well as of biological systems and soft-matter. The main goal is to generate synergies between researchers encouraging the interdisciplinary activities that allow to tackle new challenges. Another important goal is to share expertise in handling the computational resources, which are the main tools in this type of research. See the IQTCUB director’s welcome. For a more detailed information see the 2017 IQTCUB Scientific Activity Report and the XRQTC disseminating video.
- Director’s welcome
  The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona (IQTCUB) was created by the university Government Board on 27th November 2007 involving professors and researchers of different departments of the Faculties of Chemistry and Physics of the Universitat de Barcelona. Nowadays, also some groups of the Faculty of Pharmacy belong to the Institute. The common theme of the research projects conducted at the Institute is the use of methods that are rooted in quantum chemistry, recently it is also open to experimental groups of our Departments with deep collaborations with those focusing on computational chemistry. This should help to increase the multidisciplinary character of our research. Although traditionally the research at IQTCUB is mainly focused on chemistry, it is different from one would expect of a traditional chemist. Indeed, the common tools employed by the researchers at IQTCUB do not belong to a typical laboratory, but to a virtual computational “laboratory”. This “laboratory” is usually a gateway to our computational resources or to the supercomputing centers with even larger computacional facilities. The main goal of theoretical and computational chemistry is to achieve a detailed understanding of chemical and physical processes in order to assist in the interpretation…
- Direction team
  Direction team Prof. Eliseo Ruiz Sabin Director Prof. Jordi Poater Teixidor Secretary Prof. Iberio de P. Ribeiro Moreira Treasurer Prof. Francesc Illas i Riera Board Member
- Diversity, Inclusion and Equity Commission
- IQTCUB Annual Reports
  Here are of the annual IQTCUB activity reports that are available to download: IQTCUB report of 2018 ( CAT | ENG ) IQTCUB report of 2017 ( CAT | ENG ) IQTCUB report of 2016 ( CAT | ENG ) IQTCUB report of 2015 ( CAT | ENG ) IQTCUB report of 2014 ( CAT | ENG ) IQTCUB report of 2013 ( CAT | ENG ) IQTCUB report of 2012 ( CAT | ENG ) IQTCUB report of 2011 ( CAT ) IQTCUB report of 2010 ( CAT ) IQTCUB report of 2009 and 2008 ( CAT )
- XRQTC disseminating video
  You are welcome to see this video elaborated by XRQTC.This is a project done with the support of Direccio General de Recerca de la Generalitat de Catalunya through AGAUR. Authors: Xavier Gimenez (UB), Lourdes Vega (Matgas), Jean Didier Marechal (UAB).
- Contact IQTC
Research
The IQTC is working in three main Research Areas and publishes 150 articles in the most prestigious international Journals
- Research Areas
- Staff Directory
  Staff Directory
- Postdocs and PhDs
- Computational Resources
- Publications
- Highlights
- Software development
- Article Covers
Education & Outreach
The IQTC contributes to initiate chemistry undergraduate students to the discipline or to improve previous knowledge in Computational Chemistry
Open Positions
The IQTC work in the Promotion and encouragement of research and helps young students initiate a Scientific Career
News & Events
Check out the latest news and the updated Agenda of the IQTC

Staff

Home | Staff Directory

Luque Garriga, Francisco Javier

Full Professor

Research Area:
Biocatalysis and drug discovery

Department of Nutrition, Food Science and Gastronomy

Faculty of Pharmacy and Food Science

University of Barcelona

Prat de la Riba 171

+34 93 403 37 88

He obtained the PhD degree in Science (Chemistry) by the Universidad Autónoma de Barcelona (UAB) in 1989, and is currently Full Professor in Physical Chemistry since 2003. As Head of the Computational Biology and Drug Design research team, his research is centered in the study of biomolecular systems with the aim to establish the relation between structure, dynamics and function, understand the molecular determinants involved in the recognition between biomolecules, and apply this knowledge in the design of new bioactive compounds. He is co-author of around 350 manuscripts in the fields of Multidisciplinary Chemistry, Medicinal Chemistry, Physical Chemistry, Computational Chemistry and Biochemistry, around 30 book chapters, and co-inventor of 6 patents. He is member of the editorial board of Theoretical Chemistry Accounts, Journal of Computer-Aided Molecular Design and Molecules. He has been distinguished with the Luis Federico Leloir award by the Ministerio de Investigación de la República Argentina, Antoni Caparros award by Fundació Bosch I Gimpera and the Consell Social from the University of Barcelona, and Bruker/Manuel Rico by the Sociedad Española de Biofísica.