Machine learning, robotics, and AI - discover the latest developments in digital molecular discovery from the RSC.
External link for Digital Discovery #RSCDigital
#RSCPoster starts tomorrow! Don't forget to register:
We're almost there! 🙌 Tomorrow, the #RSCPoster competition will start on LinkedIn. If you haven't already then please register before midnight TODAY (UK time) ➡️ https://rsc.li/4gNFUE5 For delegates showcasing their research, please tag the Royal Society of Chemistry, the relevant showcase page category, and use the #RSCPoster or #RSCPosterPitch hashtags. We look forward to seeing all your posters!
Digital Discovery #RSCDigital reposted this
We're almost there! 🙌 Tomorrow, the #RSCPoster competition will start on LinkedIn. If you haven't already then please register before midnight TODAY (UK time) ➡️ https://rsc.li/4gNFUE5 For delegates showcasing their research, please tag the Royal Society of Chemistry, the relevant showcase page category, and use the #RSCPoster or #RSCPosterPitch hashtags. We look forward to seeing all your posters!
In this #DigitalDiscovery article, Eckhoff, Bublitz & Proppe use machine learning, quantum chemistry, and uncertainty quantification to explore carbon dioxide reactivity, aiding carbon capture and value-added chemical design. Read the open-access article here: https://lnkd.in/emCamDwh
#DigitalDiscovery is now on Bluesky! Follow us at: https://lnkd.in/eCnZCBXZ
#DigitalDiscovery and #PCCP (Physical #RSCPhys#RSCPhys) are proud to sponsor prizes at the 6th Manchester Multiscale Conference, taking place 31 March - 2 April. Registration closes 1 March - find out more here: https://lnkd.in/epnbf3y8
The latest featured #DigitalDiscovery article introduces Strategic Autonomous Non-Smooth Exploration (SANE), which addresses the challenges of Bayesian optimisation in noisy parameter spaces often found in materials discovery. Biswas, Liu et al. discuss this approach and its implementation in piezoresponse data in their open access paper: https://lnkd.in/emrJiKvk
In our newest featured #DigitalDiscovery article, Sivilotti, Friday and Jackson devise new methods to discover favourable reaction conditions for a wide chemical space. Their approach uses active learning to efficiently locate complementary sets of conditions that collectively span a wider space. Read the open access paper here: https://lnkd.in/eq3BSYmB
Digital Discovery #RSCDigital reposted this
Be inspired by the first issue of EES Solar, including top research from Michael Saliba, Samuel Stranks, Udo Bach and many more. This is your newest journal in the EES Family and a companion to Energy & Environmental Science. #JoinIn and start reading now ▶️ https://rsc.li/4gVs4za Energy #RSCEnergy
In our next featured #DigitalDiscovery article, CHOTRATTANAPITUK, Li, Cheng et al. review how data-driven AI methods accelerate prediction of vibrational dynamics of molecules and solids, such as lattice and molecular dynamics, phonon behaviours and vibrational spectra. Read the open access article here: https://lnkd.in/eC8NteWE
📢 Applications open to join the second edition of the CAMLC workshop, a great opportunity for chemists who want to learn about cheminformatics, automation, and machine learning. September 16-19 in Zaragoza, Spain. #DigitalDiscovery is proud to be offering its support! 🗓️ Application deadline: March 25 👉🏻 https://lnkd.in/dJY6faR7