portal.qt.ub.edu

iqtc.ub.edu

IQTCUB

http://www.iqtc.ub.edu/ca

Desenvolupament de me todes, algoritmes i eines computacionals. Cie ncia dels materials computacional. Bioqui mica computacional i soft matter. Reactivitat i dina mica de reaccions. New seminars available 14/10/16. Dilluns, 03 Octubre 2016. We are proud to anounce two new IQTCUB seminars. Next 14th of October, Manel Mondelo Martell and Santiago Alonso Gil will give the following seminars entitled: Manel Mondelo MartellTime-scale. Highlighting research from Dr Francesc Viñes at the IQTC. Next 15th of July...

iqtc.ub.edu

IQTCUB

http://www.iqtc.ub.edu/en/component/content/article/2-uncategorised/105-director-s-welcome.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. The Institute of Theoretical and Computational Chemistry of the Universitat de Barcelona (IQTCUB). Was created by the university Government Board on 27th November 2007, and involves professors and researchers of differents departments of the Faculties of Chemistry and Physics of the Universitat de Barcelona. See IQTCUB's direction team. Section for more information.

iqtc.ub.edu

News

http://www.iqtc.ub.edu/en/news.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. New seminars available 14/10/16. Highlighting research from Dr Francesc Viñes at the IQTC. Closed period to request IQTCUB master grants (2016-2017). Rosendo Valero explains Nomad at Novel Routes to Inorganic Polymorphs. Seminar: The simple, powerful and general constrained-search approach to DFT. Page 1 of 24. Free business joomla templates.

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Doctorates

http://www.iqtc.ub.edu/en/doctorats.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. Doctorates with participation of the Institute:. Joint Doctorate in Theoretical Chemistry and Computational Modelling (Spanish and European). Doctorate en Nanoscience and Nanotechnology (UB). Doctorate in Biotechnology (UB). Free business joomla templates.

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Equipment

http://www.iqtc.ub.edu/en/computational-resources/equipment.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. Portal (user access servers). Page 1 of 14. Currently, the IQTCUB computational facilities consists of sixt calculation clusters located in a conditioned room of the Faculty of Physics and Chemistry. This room is cooled by two air conditioning machines of 47kW and 66kW respectively. Memory 21688 GB RAM. Calculation disk capacity 174 TB. Data user disk capacity 32 TB.

iqtc.ub.edu

Staff

http://www.iqtc.ub.edu/en/staff.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. Academic and research staff (*). Positions translated according to this link. Free business joomla templates.

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Scientific Activities Reports

http://www.iqtc.ub.edu/en/home/memoir.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. Here are of the annual. Activity reports that are available to download:. IQTCUB report of 2015. IQTCUB report of 2014. IQTCUB report of 2013. IQTCUB report of 2012. IQTCUB report of 2011. IQTCUB report of 2010. IQTCUB report of 2009 and 2008. Free business joomla templates.

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XRQTC disseminating video

http://www.iqtc.ub.edu/en/home/qtc-disseminating-video.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. You are welcome to see this video elaborated by XRQTC. This is a project done with the support of. Direccio General de Recerca de la Generalitat de Catalunya. Xavier Gimenez (UB), Lourdes Vega (Matgas), Jean Didier Marechal (UAB). Free business joomla templates.

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Seminar: DNA BASE PAIRING BY NOBLE METALS: STRUCTURE AND ELECTRONIC PROPERTIES FROM DENSITY FUNCTIONAL THEORY

http://www.iqtc.ub.edu/en/news/203-seminar-dna-base-pairing-by-noble-metals-structure-and-electronic-properties-from-density-functional-theory.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. Seminar: DNA BASE PAIRING BY NOBLE METALS: STRUCTURE AND ELECTRONIC PROPERTIES FROM DENSITY FUNCTIONAL THEORY. This Thursday, there will be a seminar given by Olga Lopez-Acevedo (visiting group of Carme Rovira) from the COMP Center of Excellence in Computational Nanoscience and Department of Applied Physics, Aalto University. Date: Thursday, 16th July.

iqtc.ub.edu

Seminar: Electronic Structure of Open-Shell Tetrahedral {Fe(NO)2}9 Complexes

http://www.iqtc.ub.edu/en/news/202-seminar-electronic-structure-of-open-shell-tetrahedral-{fe-no-2}9-complexes.html

Methods, algorithms and computational tools development. Computational biochemistry and soft matter. Reactivity and reaction dynamics. Seminar: Electronic Structure of Open-Shell Tetrahedral {Fe(NO)2}9 Complexes. Next Tuesday, 30th of June, there will be a seminar given by Dr. Jen-Shiang K. Yu from the National Chio Tung University, Taiwan (visiting Jordi Ribas). Take a look to the abstract here. Free business joomla templates.