José R. B. Gomes
@joserbgomes
Computational Chemist, University of Aveiro
ID: 1317405990912954368
17-10-2020 10:05:03
247 Tweet
140 Followers
126 Following
📢Royal Society of Chemistry #RSCPoster 2024 begins tomorrow - now on LinkedIn. It's a free, virtual, global 24 hr event from 5 March 12:00 UK time. Info rsc.org/our-events/rsc… Organisers/chairs incl Dr Marc Reid Michael Seery Joanna Ortyl Prof. Fran Kerton FRSC ErrantScience Dr Edison H. Ang #RealTimeChem
The workshop Artificial Intelligence for Material Design CICECO – Aveiro Institute of Materials is about to start.
Full program of the workshop "Artificial Intelligence for Material Design" CICECO – Aveiro Institute of Materials
Amplified sensing of NO2 with a phosphate-doped reduced graphene oxide powder sciencedirect.com/science/articl… It is analyzed the influence of the GO synthesis route on the sensitivity to NO2 gas Collaboration with colleagues from KAUST PSE, Universitat Rovira i Virgili, Université de Mons and CICECO – Aveiro Institute of Materials
Quantifying the Uncertainty of Force Field Selection on #Adsorption Predictions in #MOFs | Journal of Chemical Theory and Computation pubs.acs.org/doi/10.1021/ac… w/ Miguel Jorge et al. Chemical Engineering
The "Effect of surface composition on the stability of Ti- and V-based oxycarbide and oxynitride MXenes" is analyzed in our most recent study based on #DFT calculations carried out at CICECO – Aveiro Institute of Materials, w/ JDG and w/ funding from FCT - Fundação para a Ciência e a Tecnologia. sciencedirect.com/science/articl…
Single‐Atom Catalysts Based on the Mo2CO2 MXene for CO Oxidation - w/ J. D. Gouveia CICECO – Aveiro Institute of Materials . ForTheShift project (funds from FCT - Fundação para a Ciência e a Tecnologia). onlinelibrary.wiley.com/doi/abs/10.100…
Glad to share CICECO – Aveiro Institute of Materials Smallmatek study rdcu.be/dNzq1 entitled "Artificial intelligence platform for the virtual screen of aluminum corrosion inhibitors", focused on the DATACORTECH application that is available at datacor.shinyapps.io/datacortech/. horion FCT - Fundação para a Ciência e a Tecnologia
Glad to share our open-access article entitled The dipole moment of supercritical water – local vs. mean-field polarisation contributions w/ Z. Macpherson, L. Lue and M. Jorge from University of Strathclyde tandfonline.com/doi/full/10.10…