Yu Che

PhD student in @AICooperGroup

[Linjiang | 林江 @linjiangchen]

Materials discovery accelerated by ML (not AI 😉), with Haofan, @Yu_Che2, Xiaobo, & @aicooper
https://t.co/aIiGpaqB1s

[Alan Aspuru-Guzik @A_Aspuru_Guzik]

Please RT. These are positions similar to those that you would have at a company building something over several years, or a national lab-style position. We have several openings in several areas that interface AI, automation, chemistry, biochemistry and materials science!

[Anatole von Lilienfeld @ProfvLilienfeld]

At chemical accuracy, #QML based on @DanishK42's ultra-compact local many body distribution functionals (MBDF) reaches #QM9 sampling rates of nearly 40 molecules/core second. #QMugs (@atzkenneth) performance is also promising! With @Heini_dppf

[Volker Deringer @vl_deringer]

This is a very cool preprint for multiple reasons. It shows how LOBSTER 🦞 analysis has arrived in the high-throughput age, & how chemical bonding can yield useful fingerprints ("features") for ML. Excited to see where @NaikAak & all in @MolecularXtal's team will take this next!

[Volker Deringer @vl_deringer]

How to validate ML potentials for #compchem and materials modelling? Very happy to see this work by @JoeMorrow3594 & @jla_gardner now published in final form @JChemPhys 🥳

📄 Read the #OpenAccess paper here: https://t.co/zUcH2fROgu

🖥️ Python notebooks: https://t.co/7PqTR6KCts

[Yu Che @Yu_Che2]

@aicooper @A_Aspuru_Guzik Section 4.1 https://t.co/KZXuIwU6iw

[Linjiang | 林江 @linjiangchen]

Please RT 🙏
Seeking applications for two PhD studentships (AY 2022/23) to work with me @UoBChemistry on computation/data-driven materials discovery. Please contact me before applying. International students are welcome to apply - please get in touch before the 25th of this month

[Aoife Abbey @WhistlingDixie4]

One month ago I posted this video from BBC news

I am so sad to hear that this nurse, Estrella Catalan, has now died

Friends have set up a gofundme here

https://t.co/f78tI7wFXf

I have no other other words

[Yu Che @Yu_Che2]

Thanks
@plotlygraphs
user-fiendly toolkits #Dash #Plotly that we can develop this application and published on
@NatureComms. It is simple for non-computer researchers sharing and visualising dataset online without too much coding skills.
https://t.co/ic99AcFQLo

[Linjiang | 林江 @linjiangchen]

ESF maps strike again - we made them interactive and hopefully the reading of them fun 🤓
https://t.co/Rf664dfXA3

[Project Jupyter @ProjectJupyter]

JupyterLab 3.0 is released!

- visual debugger
- support for multiple display languages
- table of content for notebooks
- improved extension system.

Check out the announcement blog post.

https://t.co/pUBiZEYH4c

[NumPy @numpy_team]

The NumPy paper is out!

https://t.co/q2Svekk9G8

[Nature Portfolio @NaturePortfolio]

This week on the Nature cover: Robo chemist. An autonomous approach to experimental chemistry. Browse the issue here: https://t.co/iCsZb7ItFR

[Duarte Group @duarte_group]

Tom and Razvan's work on automated metallocage construction and guest binding is now out in @JCIM_ACS! The web app that accompanies this paper can be found at https://t.co/bIYwNgMG0o - check out how it works in the video below!

First seen on @ChemRxiv @TYoungResearch #compchem

[Anatole von Lilienfeld @ProfvLilienfeld]

Finally, our perspective on QM based ML models applicable throughout compound space is out! Work with KR Mueller and A Tkatchenko @TcpUniLu

[Liverpool City Council @lpoolcouncil]

Liverpool’s Director of Public Health Matthew Ashton urges people to continue following social distancing advice after it was revealed the R rate for COVID-19 in our region is just above 1, the highest in the country.

#COVIDー19 @DPH_MAshton

[Yu Che @Yu_Che2]

@PhilMaffettone

[Project Jupyter @ProjectJupyter]

"A visual debugger for Jupyterlab"

Check out our latest blog post!

https://t.co/46ChJeSq1X

[Daniel G A Smith @dga_smith]

XTB is now up on conda-forge thanks to some heroic work by the author, Sebastian Ehlert! Awesome for geometry optimizations and other quantities, QCEngine support coming soon.

C-F: https://t.co/ESdO5Igt1s
Source: https://t.co/qAy0rvaJi5

(Give them a GH star!)

#compchem