QTC news

IMAGE IQTCUB's article published
Thursday, 12 January 2017
Theoretical study on the heterogenous #catalysis reactions of H2 on #MolybdenumCarbides surfaces check this link! http://www.sciencedirect.com/science/article/pii/S0039602816304125  
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IQTC Internal Seminar Friday 20th of January
Wednesday, 11 January 2017
The next IQTCUB Internal Seminar will take place on Friday 20th of January in the 'Sala d'Actes' of the Department of Materials Science and Physical Chemistry at 12:00. Here you have the abstracts of...
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Seminar: Nanoestructuras de carbono modificadas por la intracción con metales: ¿Qué nos aportan los cálculos teóricos?
Wednesday, 11 January 2017
Next day 12th of January of 2017 there will be the following seminar in spanish: Nanoestructuras de carbono modificadas por la intracción con metales: ¿Qué nos aportan los cálculos teóricos?...
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Jordi Ribas from IQTCUB publishes a study in Nature Chemistry
Friday, 16 December 2016
A study carried out by Professor Jordi Ribas Ariño from IQTCUB has been published in Nature Chemistry. Article reference: P. Dopieralski, J. Ribas–Ariño, P. Anjukandi, M. Krupicka, D. Marx. ...
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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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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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