Our #Nice paper on Graph Neural Networks to evaluate adsorption energies of large molecules on metals is out! With Sergio Pablo-García Carrillo @smorandi95 @rovargashdz Kjell Jorner Žarko Ivković Alan Aspuru-Guzik Acceleration Consortium (AC) SOMM alliance NCCR Catalysis ICIQ nature.com/articles/s4358…

We are looking for Summer Fellows deadline 17th March Grupo E. "Mujeres en Física" RSEF EstudiantesRSEF Women in HPC Societat Catalana de Física complexitat.cat Jóvenes Investigadores Químicos (JIQ-RSEQ) EYCN ELLIS careers.iciq.org/jobs/3586055-i…

Are you predicting atomic or molecular properties but your dataset is too small? Try transfer learning based on atomic feature extraction and forcefield as a pre-trained model. Preprint: chemrxiv.org/engage/chemrxi… Jesus Jover Computational Inorganic Chemistry group UB

The work from my master's thesis is published in Digital Discovery. If you are interested in transfer learning as a potential solution for the lack of training data in chemistry, check it out, it's open-access: doi.org/10.1039/D4DD00…