QTC news

IQTC Internal Seminar 19th January
Tuesday, 16 January 2018
This Friday 19 of January we will have the first seminar of the second round of IQTC Internal Seminar. As always, this will take place at 12:00 in Sala d'Actes of Department of Material Sciences and...
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IMAGE Article 'Electronic and Steric Control of the Spin-Crossover Behavior in [(CpR)2Mn] Manganocenes' published
Friday, 12 January 2018
The work done by Jordi Cirera Jordi Cirera Jordi Cirera and Eliseo Ruiz from IQTC on electronic and steric control of the #spincrossover behavior in [(CpR)2Mn] manganocenes has been published in...
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IMAGE Article cover for 'Carbon dissolution and segregation in platinum'
Friday, 12 January 2018
The article 'Carbon dissolution and segregation in platinum' was published in Catalysis Science and Technology as cover article. The article was created by several researches including Francesc...
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PhD Studentship: Computational Biophysics (University of Bath)
Thursday, 07 December 2017
Take a look to the PhD Studentship in at the department of Chemistry in the University of Bath, UK. All inforamtion here!
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IMAGE Article 'Splitting water: Developing catalysts to create hydrogen fuel'
Friday, 01 December 2017
Professor Francesc Illas i Riera  from IQTC UB has published the article 'Splitting water: Developing catalysts to create hydrogen fuel' in PRACE DIGEST 2017. 'Hydrogen has the potential to...
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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 2016 IQTCUB Scientific Activity Report and the XRQTC disseminating video.

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