Jingbai Li
@Jingbai_Li
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Machine Learning Computational Chemist; Associate Professor @ Hoffmann Institute of Advanced Materials(HIAM), Shenzhen Polytechnic
Shenzhen, Guangdong, China
Joined June 2020
RT @PavloDral: Meet OMNI-P2x — the First Universal #ML Potential for Excited States! #compchem #aichem #mlchem #neuralnetwork. https://t.co….
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RT @RCrespoOtero: I am very happy to see our paper on SF fission in pentacene crystals using ML-accelerated NAD finally published in Nat. C….
nature.com
Nature Communications - Singlet fission enables high light-harvesting abilities in pentacene crystals. Here the authors use machine-learning photodynamics to show competing charge-transfer-mediated...
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RT @ChChoi: 🚀 OpenQP's main article is out! Next-gen quantum software featuring MRSF-TDDFT. Read: & .
pubs.acs.org
The OpenQP (Open Quantum Platform) is a new open-source quantum chemistry library developed to tackle sustainability and interoperability challenges in the field of computational chemistry. OpenQP...
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RT @ChChoi: Introducing OpenQP (: a pioneering platform for quantum chemical collaboration, featuring the innovativ….
github.com
The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU. - Open-Quantum-Platform/openqp
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I recently developed my second research interest in perovskite solar cells! ☀️Being able to resolve practical material problems with molecular simulations is exactly what makes me feel great as a computational chemist. And it is truly rewarded.🏆😄 #compchem
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RT @Chem_CP: Online now: Machine learning photodynamics uncover blocked non-radiative mechanisms in aggregation-induced emission https://t.….
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Our latest work on ML photodynamics for molecular aggregates is just out! 50-day free download here Please share! #compchem #ML @StevenLopez_neu @saalgueroo @liwang86465984.
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RT @RCrespoOtero: Delighted to have the final version of this paper with the amazing @Jingbai_Li, @FedeJHernandez, @saalgueroo.and @StevenL….
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We @StevenLopez_neu just simulated the photochemical cubane formation in solution with ML power. It turned out the external pressure is the magic to close the cube! Here is the preprint #compchem #MachineLearning.
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RT @PavloDral: Chapter "Machine Learning Methods in Photochemistry and Photophysics"
dr-dral.com
Surging efforts and fast progress in AI methods for photochemistry and photophysics make it difficult to track the current state of the art. We cover the recent developments in this field in the ch…
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RT @cenmag: Chemists have synthesized perfluorocubane for the first time. The molecule, C₈F₈, has long interested chemists “not only for it….
cen.acs.org
Perfluorocubane can capture an electron within its interior, thanks to antibonding orbital overlap
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Today is my first day at Hoffmann Institute of Advanced Materials. 🍵I have several postdocs opportunities in developing and applying machine learning methods for chemistry and materials! Come and join us!🙋♀️🙋👩🎓🧑🎓👨🎓
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Flying back to China after an exhausted journey.😷 Now I’m thrilled to announce I’ll be starting my lab this fall in the Hoffmann Institute of Advanced Materials at Shenzhen polytechnics.🎉 Looking for passionate postdocs in #MachineLearning #compchem and #photochem. DM me!👏.
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RT @AkimovLab: The application for the NSF-supported CyberTraining Summer School and Workshop on the Excited States and Nonadiabatic Dynami….
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Super exited to announce that I’ll be joining in the Hoffmann Institute at Shenzhen this Fall! Great thanks to my PI Prof @StevenLopez_neu, my PhD adviser Prof. Andrey Rogachev and many others for the support! @P_Friederich @tachyon_aja I’ll be continuously leveraging PyRAI2MD!
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What?! Fluorobenzenes are not planar under light! Check out our just accepted work @ChemEurJ by #machinelearning photodynamics! Congrats! @StevenLopez_neu #compchem #ML.
chemistry-europe.onlinelibrary.wiley.com
Machine learning accelerated photodynamics simulations reveal the excited-state mechanistic pathways of fluorobenzenes. The excited-state distortions promote the cis-trans isomerization of a πC-C...
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Our Cover Art for #machinelearning photodynamics simulations to cubanes is online now! @J_A_C_S @ACS4Authors #MyACSCover. Thanks all coauthors @StevenLopez_neu @Rachel_J_Stein @DanAdrion and everyone from @nodecrashers ! #compchem
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RT @AkimovLab: Wanted to model the #excited_states and #nonadaibatic #dynamics in extended (#nanoscale/solid-state) #materials? Perhaps hav….
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RT @janhjensen: Computational Chemistry Daily is out! Stories via @MLSTjournal @paolagorigiorgi @Jingbai_Li.
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