QTC news

Seminar: Accurate Nonadiabatic Dynamics on the Cheap: Harnessing Quantum-Classical Theory with Generalized Quantum Master Equations
Wednesday, 23 November 2016
On Thursday 24th there will be a IQTCUB seminar given by: Dr. Aaron Kelly (Max Planck for the Structure and Dynamics of Matter, Hamburg, Germany) entitled: "Accurate Nonadiabatic Dynamics on the...
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Seminar: TDDFT-based nonadiabatic dynamics with relativistic effects
Tuesday, 15 November 2016
This Thursday the 17th of November, there will be a IQTCUB seminar given by: Dr. Ivano Tavernelli (Zurich Research Laboratory, Zurich, Switzerland) entitled: "TDDFT-based nonadiabatic dynamics with...
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IQTC PhD Seminar
Tuesday, 08 November 2016
We are proud to anounce two new IQTCUB seminars. Next 18th of November, Alberto Figueroba and Tommaso Francese will give the following seminars entitled: Alberto FiguerobaOn the existence of Pt⁴⁺...
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Seminar: Linking Mechanochemistry to protein folding at the single bond level
Friday, 04 November 2016
on Monday the 7th of November there will be a  seminar of probable interest to many IQTCUB members given by: Prof. Sergi Garcia-Manyes (Kings College London) - visiting Ismael Diez, entitled:...
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Seminar: "Path sampling simulations of the mechanisms and rates of transitions between Watson-Crick and Hoogsteen base pairing in DNA"
Thursday, 03 November 2016
on Friday the 11th of November there will be a IQTCUB seminar given by: Jocelyne Vreede from the Van 't Hoff Institute for Molecular Sciences, University of Amsterdam entitled: "Path sampling...
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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 2015 IQTCUB Scientific Activity Report and the XRQTC disseminating video.

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