Conference EJD-TCCM in Leuven

One week of conference is starting today (July 17th, 2017) here in Leuven. [Here is the official website!] Our group and the entire Quantum Chemistry Division is very glad to host all the participants and the invited speakers that come from different countries. The conference is organised by Prof. Jeremy Harvey and Prof. Arnout Ceulemans, together […]

VSC User Day 2017

Today 2nd of June 2017 in Brussels is the VSC User Day!! [link] The VSC (Flemish Supercomputing Center) is routinely used by our group to run a large number of calculations, and thus is of great importance to us. Three members of the group (Andrea, Carlos, and Eliot) participated by bringing a poster that illustrates […]

eCOSTbio meeting 2017

On March 30th and 31st in Lisbon (Portugal) was organized the 6th edition of eCOSTbio scientific workshop. Milica attended the meeting presenting her work about the challenges of calculating non-heme iron complexes. Most precisely she is working on canonical (CC) and local coupled cluster calculations (LCC) applied on hydrogen atom transfer reaction catalyzed by FeIVO(NH3)5. […]

Conference CMS 2017

Between March 19th and 22nd Andrea and Ewa attended the Computational Molecular Science conference (CMS 2017) at the University of Warwick (Coventry, UK).It was an exciting experience full of very good talks, poster discussions and, of course, food & drinks. The conference started on Sunday evening with a finger food and hamburger dinner in a […]

Visit to EPFL

Everyone in the group is involved in a different project, some of them also permit to expand the connections and collaborations with other groups both from university and industry partner. This is one of these cases! During the whole month of February, Andrea was visiting the group of Prof. Hu in EPFL ( to understand […]

NoNoMeCat in Leuven

Between the 9th and the 13th of January, the group of ESRs of the NoNoMeCat ITN was in Leuven to take part in a workshop organized here. NoNoMeCat is an European Project to which one of our group members (Andrea) belongs. The ITN brings together academic and industrial researchers from 7 countries to form a consortium with complementary skills. […]

Visit of Prof. Mayer (Yale University)

On December 13th (2016) we had the visit of Prof. James M. Mayer, a physical inorganic and materials chemist from Yale in the US. He gave an exciting and inspiring talk title: “Adventures in Proton-Coupled Electron Transfer: From hydrogen atom transfer to materials chemistry” We are very happy to have received his visit. More information […]