News

Dr. Marcel Swart has become ICREA Senior Research Professor

Thursday, 02 September 2010 08:49

The researcher of the Institute of Computational Chemistry and member of the XRQTC, Dr. Marcel Swart, has recently become ICREA Senior Research Professor. This position is only given to those outstanding researchers in Catalonia. His main lines of research are focused on the bioinorganic chemistry and biomedicine. Marcel carried out his PhD at Groningen and the postdoc with Prof. Dr. F. M. Bickelhaupt, who visits Girona every year. Marcel is also co-author of the Amsterdam Density Functional (ADF) software package, one of the most applied softwares in computational chemistry.

HPC-EUROPA2: Transnational Access Programme will continue up to the end of 2012

Thursday, 02 September 2010 08:21

Next deadline for submitting applications is September 15, 2010. If you are a scientist of postgraduate level or above, working in the EU or an Associated State, you require large computing power to improve your research and you Would like to visit a similar research group, please visit the HPC-EUROPA2 website to send your application: http://www.hpc-europa.eu/

Interview to Miquel Solà on Teraflop

Wednesday, 28 July 2010 11:32

On occasion of the ICREA Academy Awards, the magazine Teraflop has done an interview to Prof. Miquel Solà, of the University of Girona and a XRQTC member, one of 30 distinguished ICREA Academy Awardees.

Read here the interview (only in Catalan).

Dr. Ruiz's research about molecular magnetism on Teraflop

Wednesday, 28 July 2010 11:19

On the May issue of teraflop, an article came out on molecular magnetism, more specifically on the study of magnetic properties of molecules of the family of Mn₆ by theoretical methods based on density functional theory (DFT). This study is one of the research lines of Dr. Eliseo Ruiz, Department of Inorganic Chemistry, University of Barcelona and member of the XRQTC.

Read the article here (only in Catalan).

An article by Dr. Carme Rovira has been selected by the Journal of Physical Chemistry

Friday, 16 July 2010 07:50

The article written by Dr. Carme Rovira:

On the Role of Water in Peroxidase Catalysis: A Theoretical Investigation of HRP Compound I Formation
Pietro Vidossich, Giacomo Fiorin, Mercedes Alfonso-Prieto, Etienne Derat, Sason Shaik and Carme Rovira
J. Phys., Chem., B, 2010 114(15), pp 5161-5169. DOI: 10.1021/jp911170b

has been selected by the Journal of Physical Chemistry has been selected as one of the 8 recently published articles that highlight the field of biophysical chemistry. The Dr. Carme Rovira is the group manager of the Quantum Simulation of Biological Processes Group of the University of BArcelona and an XRQTC member.