Joe Morrow (@joemorrow3594) 's Twitter Profile
Joe Morrow

@joemorrow3594

Research student in computational materials chemistry at @UniofOxford, applying #MachineLearning to atomistic simulation. Cross country running enthusiast.

ID: 1275513661314998274

calendar_today23-06-2020 19:39:01

30 Tweet

233 Followers

234 Following

Joe Morrow (@joemorrow3594) 's Twitter Profile Photo

Excited to start a DPhil in October at the OxICFM CDT! I'll be using #MachineLearning to develop interatomic potentials for fast simulations of inorganic materials with Volker Deringer.

Duarte Group (@duarte_group) 's Twitter Profile Photo

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…

Joe Morrow (@joemorrow3594) 's Twitter Profile Photo

Hands-on theoretical chem with Merge, thanks to OxICFM for introducing. Here’s my 1000-atom amorphous Si structure from GAP-MD, with red atoms dissimilar to diamond (SOAP)

Volker Deringer (@vl_deringer) 's Twitter Profile Photo

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…

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. <a href="/IOPPublishing/">IOP Publishing</a> #compchem #battchat doi.org/10.1088/2515-7…
Joe Morrow (@joemorrow3594) 's Twitter Profile Photo

Enjoyed reading the latest from @thomascnicholas and coworkers. Looking forward to trying out the coarse-graining Python package!

Joe Morrow (@joemorrow3594) 's Twitter Profile Photo

Had a fantastic time at #PsiK2022 this past week, with a poster commendation a great way to finish. Check out the work behind it here: arxiv.org/abs/2111.11120

Had a fantastic time at #PsiK2022 this past week, with a poster commendation a great way to finish. Check out the work behind it here: arxiv.org/abs/2111.11120
Joe Morrow (@joemorrow3594) 's Twitter Profile Photo

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

Zakariya El-Machachi (@zakmachachi) 's Twitter Profile Photo

Exploring the atomistic structure of amorphous materials is challenging. Our approach combines ML potentials and Monte-Carlo simulations, leveraging ML atomic energies to reveal insights into the topology of disordered 2D graphene. #RSCPoster #RSCPhys #RSCDigital #compchem

Exploring the atomistic structure of amorphous materials is challenging. Our approach combines ML potentials and Monte-Carlo simulations, leveraging ML atomic energies to reveal insights into the topology of disordered 2D graphene. #RSCPoster #RSCPhys #RSCDigital #compchem
John Gardner (@jla_gardner) 's Twitter Profile Photo

đź‘‹ to everyone at the #RSCPoster Conference! I'm very pleased to present my work combining synthetic data and atomistic machine learning. #RSCDigital #RSCPhys #RSCMat #compchem (preprint at arxiv.org/abs/2211.16443)

đź‘‹ to everyone at the #RSCPoster Conference! 
I'm very pleased to present my work combining synthetic data and atomistic machine learning. #RSCDigital #RSCPhys #RSCMat #compchem

(preprint at arxiv.org/abs/2211.16443)
Joe Morrow (@joemorrow3594) 's Twitter Profile Photo

Just accepted in JCP! Excited to share our article: a tutorial-style guide for testing ML potentials, with ideas for chemistry-inspired validation and pitfalls to avoid with error evaluation aip.scitation.org/doi/10.1063/5.… #compchem

John Gardner (@jla_gardner) 's Twitter Profile Photo

Announcing "load-atoms": a simple-to-use Python package for downloading, inspecting and handling datasets of atomistic structures! #compchem jla-gardner.github.io/load-atoms/

Announcing "load-atoms": a simple-to-use Python package for downloading, inspecting and handling datasets of atomistic structures! #compchem

jla-gardner.github.io/load-atoms/