
Joe Morrow
@joemorrow3594
Research student in computational materials chemistry at @UniofOxford, applying #MachineLearning to atomistic simulation. Cross country running enthusiast.
ID: 1275513661314998274
23-06-2020 19:39:01
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233 Followers
234 Following


Excited to share our work in collaboration with Romain Costil and Jonathan Clayden, where we investigate atropisomerism in diarylamines. Just published in Angewandte Chemie - congratulations Alistair Sterling! #compchem SBM CDT Oxford Chemistry doi.org/10.1002/anie.2…

And we're live! Very excited to share this – follow our newly-starting group over at Deringer Group Oxford


Out now in final form: a perspective paper on #MachineLearning driven simulations for battery research 🤖🔋💡More complex structural questions accessible than before; new links with DFT and experiments to be exploited. IOP Publishing #compchem #battchat doi.org/10.1088/2515-7…





Very happy to be at the GAP Developers & Users meeting at Aalto University this week! gap-ml.org/du-meetings/du… Here with Zak (Zakariya El-Machachi) and Joe (Joe Morrow) #compchem



Pleased to share our guide to validating ML potentials. Comments encouraged! In short: numerical errors are important, but evaluate carefully... ...and always test a potential with MD for your application. Joint enterprise with John Gardner Deringer Group Oxford arxiv.org/abs/2211.12484



