Ahmad, Shahzada | IQTC - The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona

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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
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- 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 )
- IQTCUB Equity Plan
- 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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The IQTC is working in three main Research Areas and publishes 150 articles in the most prestigious international Journals
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The IQTC contributes to initiate chemistry undergraduate students to the discipline or to improve previous knowledge in Computational Chemistry
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Ahmad, Shahzada

ICREA Research Professor

Research Area:
Catalysis, energy and environment

Shahzada Ahmad is an ICREA professor at the University of Barcelona and directs NEOM (New Energy & Optical Materials) labs. Prior to this, he was an Ikerbasque professor, and his scientific interests include materials for semiconductors and energy. He obtained his Ph.D. in materials science (India) and moved to the Max Planck Institute for Polymer Research to work on surfaces and interfaces using scanning probe microscopy. At EPFL, he developed nanoporous films for metal-free electro-catalysis and new redox shuttles. From 2012 to 2017, he was program director at Abengoa Research, a corporate research center, where he led disruptive projects and served as an interface between the business group and the technological development path. His scientific publications list reflects his interest in the domain of physical chemistry and materials science, with a research mission to develop innovative materials for energy. His work has led to the invitation to speak at many scientific or policy-based conferences, the inventor of patents, Editorial roles in scientific journals, and editorial board member of numerous journals. He is a European Research Council Consolidator and PoC grant awardee, elected member of the European Academy of Sciences, a fellow of the Young Academy of Europe (Academia Europa), a fellow of the Royal Society of Chemistry (FRSC), a cohort of distinguished scientist by World Economic Forum, Young Investigator Medal (2019) Royal Academy of Engineering, Spain, Leonardo Fellowship (2023), Humboldt Fellowship and Lindau Fellowship. He is an evaluator of the national funding scheme of various countries and the EU, a member of the jury of the national prize, professor hiring and promotion committee of universities in different countries and was a technical chair of the largest renewable energy conference in the MENA region. He is a strong advocate for renewable energy and regularly writes popular science articles for the public at large at the World Economic Forum. He was invited to speak on energy materials and disruptive batteries at the summer Davos meeting of the World Economic Forum, and his group’s work regularly received media coverage.