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QTC news

IMAGE Talk: Understanding ligand selectivity in bitter taste receptors using multiscale molecular dynamics simulations
Monday, 18 March 2019
Next Friday 22th March at 12h at Aula QF, Mercedes Alfonso from the Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9 ( Forschungszentrum Jülich, Jülich,...
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IMAGE New and cleaner ways of doing good old organic chemistry
Tuesday, 12 March 2019
Our IQTCUB's member Federico Calle Vallejo has published a new article entitled Structural principles to steer the selectivity of the electrocatalytic reduction of aliphatic ketones on platinum...
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IQTC internal seminar 28th February
Thursday, 28 February 2019
Today Thursday, 28 of February, there will be  the next session of the IQTC internal seminars. It will take place, as usual, at the sala d'Actes of the Department de Ciència de Materials i...
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Lecture: The fuzzy border between Molecular Simulations and data science
Monday, 25 February 2019
Alejandro Rodríguez García (International Center for Theoretical Physics, Trieste, Italy), former student of IQTCUB, will give a lecture next week entitled. The fuzzy border between Molecular...
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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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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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