Illas i Riera, Francesc | 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).
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Research
The IQTC is working in three main Research Areas and publishes 150 articles in the most prestigious international Journals
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  Staff Directory
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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
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Staff

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Illas i Riera, Francesc

Full Professor

Research Area:
Catalysis, energy and environment

Department of Materials Science & Physical Chemistry
Faculty of Chemistry
University of Barcelona
c/Martí i Franquès, 1

+34 93 4021229

Francesc Illas carried out his chemistry degree studies and Ph. D Thesis at the Universitat de Barcelona where he became a Full Professor of Physical Chemistry in 1992. He spent several periods at different research centers (IBM Almaden Research Center and Los Alamos National Laboratory) and has been invited professor at Universitá della Calabria (Cosenza, Italy) and Université Pierre et Marie Curie (Paris, France). He received the Distinguished Professor Mention for the Research Promotion awarded by the Generalitat de Catalunya in 2001, the Bruker Physical Chemistry Research Award of the Spanish Royal Society of Chemistry in 2004, received the ICREA Academia Award in 2009 for the 2010-2014 and again in 2015 for the 2016-2020 period. In 2022 he was awarded the Medal of the Spanish Royal Society of Chemistry, the highest distinction of this society. He was elected Fellow of the European Academy of Sciences in 2009 and a Member of Academia Europea in 2017; In 2012 he joined the Editorial Board of Surface Science and of Theoretical Chemistry Accounts. He published over 650 papers in international journals which received more than 26.000 citations in WoS with an h-index of 79; he served as Director of IQTCUB from 2007 to 2018 and is currently the Director of the Department of Materials Science and Physical Chemistry.