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QTC news

Talk: Iron sulfide minerals, Phase stability and oxidation behaviour
Friday, 01 February 2019
Next Friday 8th February at 11:45h in Aula QF, Dr. Umberto Terranova  (School of Chemistry, University of Cardiff, UK.) will give the following talk: Iron sulfide minerals: Phase stability and...
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Talk by Maytal Caspary from Technion Israel Institue of Technology
Friday, 11 January 2019
Maytal Caspary Toroker, from the Technion - Israel Institute of Technology, visiting Francesc Illas, will give the talk “Recent advances in modeling Fe2O3 for water splitting catalysis” on...
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IMAGE Registration open: Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond
Friday, 11 January 2019
Registration is open for the 5th edition of the CECAM school "Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) Approaches to Biochemistry and Beyond". April 8, 2019 to April 12, 2019 Location :...
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IMAGE Talk: Taming the complexity of solid catalysts with the modern modeling toolbox
Monday, 17 December 2018
Albert Bruix, from the Technical University of Munich, will give the lecture entitled: 'Taming the complexity of solid catalysts with the modern modeling toolbox' The event will take place next...
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IMAGE Talk: Finding Free Energy Landmarks of Reactions in Solutions
Thursday, 13 December 2018
Dr. Motoyuki Shiga, from Japan Atomic Energy Agency will give a lecture on Tuesday 18th December entitled:   Finding Free Energy Landmarks of Reactions in Solutions   The event will take...
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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.

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