|Posted on April 1, 2015 at 4:30 PM|
|Posted on March 25, 2015 at 5:05 PM|
|Posted on March 20, 2015 at 5:30 PM|
Eloy and I have been working together for the past two years. At some point, it occurred to us studying the first stages of the physical processes taking place in dye-sensitized solar cells (DSSC). It all started as a mere simple exercise to motivate young students to try computational chemistry research. Little by little, we have familiarized ourselves with the computational techniques used (there is still a long way to go) ...Read Full Post »
|Posted on February 2, 2015 at 3:25 PM|
At the end of January the Marcial Moreno Mañas Lectureship award from the RSEQ (Spanish Royal Society of Chemistry) was conferred. I did not win the award but I was chosen among the three finalists, as stated here. Needless to say, I more than happy of this outcome. I shall keep trying :-)
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|Posted on September 8, 2014 at 7:05 PM|
My talk 'New Stringent Conditions for the Cumulant Matrix' was selected for 10th edition of the World Association of Theoretically-Oriented Chemists (WATOC) that will be celebrated in Santiago de Chile. In addition, I was invited to give a talk in the satellite meeting "New Approaches in Theoretical Chemistry" that will be held in the University of Chile in Santiago two days before WATOC.
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|Posted on July 19, 2014 at 6:55 PM|
Last week the European Young Chemist Award Organization notified me that I had been selected among the finalists of the EYCA2014. The final step of this competition is a 10min talk that takes places at the 5th European Chemistry Congress that I will attend in Istanbul. As far as I remember there are eight candidates in the postdoc category;...Read Full Post »
|Posted on June 29, 2014 at 1:00 PM|
This summer the group will enjoy the visit of a few researchers. Some of them will come next week to attend the XI edition of the Girona Seminar and the others will arrive during the following weeks and stay for a longer time.
The Girona Seminar will bring a few collaborators: Dr. J. Óscar C. Jiménez-Halla (alumni currently in Univ. Guanajuato), Prof.Read Full Post »
|Posted on June 18, 2014 at 6:45 PM|
In the last years we have worked in the design of a new approximation to the third-order density that just got accepted for publication in J. Chem. Theory Comput. The nth order density is a well-known quantity in quantum mechanics that gives the probability of finding n particles (usually electrons) simultaneously in different location of the molecular spRead Full Post »
|Posted on June 12, 2014 at 4:25 AM|
This year research will take me to travel around the world. Literally :-) My trip starts on the 8th of August and I will be back in Girona the 7th of September. I will attend three conferences and visit a research group.
My journey starts in San Franciso. I will participate in the 248th ACS meeting in San Francisco where I will give two oral presentations:
|Posted on May 10, 2014 at 9:45 AM|
This year, a work published in Chem. Eur. J. was chosen for a cover in this journal. This work is devoted to Inverse carbon-free sandwich structures with formula E2P4 (E=Al, Ga, In, Tl), which have been proposed as a promising new target in main-group chemistry. Our computational exploration of their corresponding potential-energy surfaces at the S12h/TZ2P level show...Read Full Post »