por Albert Rimola | Jun 25, 2025 | Activity
NVE AIMD simulation of the three-body reaction (3BR) forming CH3CHO via: i) H + CO (+CH3) –> HCO + CH3 –> CH3CHO Technical details: CP2K code; at the PBEsol-D3(BJ) theory level; core electrons were described with the Goedecker–Teter–Hutter...
por Albert Rimola | Nov 4, 2023 | Activity
I the context of the ERC QuantumGrain project, we are organizing a conference entitled Emerging Horizons in the Chemistry of the Universe, in Barcelona 9th-12th June 2024. Details of the workshop will be announced soon but please schedule the workshop in advance! More...
por Albert Rimola | Sep 8, 2022 | Activity
Our group member Jessica Perrero has received the 3rd best poster prize in the Paris Internaional School on Advanced Computational Materials 2022, where she presented the work on Non-energetic ethanol formation via CCH reaction with interstellar H2O ices. Very...
por Albert Rimola | Sep 8, 2022 | Activity
In the context of the AstroChemical Origins (ACO ITN H2020 project, http://www.aco-itn.org)]http://www.aco-itn.org , the DOC ERC (https://doc.osug.fr/), the SIRC ANR (https://francoisdulieu.wixsite.com/sirc-anr) and the ERC QuantumGrain project...
por Joan | May 26, 2022 | Activity
The recipient of the 2022 ACS Astrochemistry Outstanding Dissertation Award is our group member and PostDoctoral researcher Dr. Joan Enrique-Romero for his PhD thesis dissertation entitled «Surface chemistry of molecules of astrophysical interest: theory and...
por Joan | May 26, 2022 | Activity
The «Real Sociedad Española de Quimica» (RSEQ) has awarded our PI Albert Rimola with one of the «PREMIO JOVEN INVESTIGADOR – MODALIDAD «Líder de Grupo» 2022 in recognition of his scientific and academic career. Congratulations Albert! Find more information in...
