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
Meet OMNI-P2x โ the First Universal #ML Potential for Excited States! #compchem #aichem #mlchem #neuralnetwork
https://t.co/5OKdGRRMNP - Preprint: https://t.co/rXVPT6wB4n - Tutorial: https://t.co/u35Bh0uHAC Aitomistic Hub:
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I am very happy to see our paper on SF fission in pentacene crystals using ML-accelerated NAD finally published in Nat. Comm.!( https://t.co/7gcinfWene). Many thanks to our fantastic team: @Jingbai_Li, @FedeJHernandez, @StevenLopez_neu, @saalgueroo, and the RS for funding!
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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๐ OpenQP's main article is out! Next-gen quantum software featuring MRSF-TDDFT. Read: https://t.co/8sZGkzOH40 & https://t.co/NAJwwHDtwP. Get the code:
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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Introducing OpenQP ( https://t.co/JfDwRrwbYI): a pioneering platform for quantum chemical collaboration, featuring the innovative MRSF-TDDFT. A huge thank you to Vladimir, @constlik, Igor, @Jingbai_Li, and everyone else for their tremendous efforts!
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! โ๏ธBeing 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.๐๐ #compchem
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Online now: Machine learning photodynamics uncover blocked non-radiative mechanisms in aggregation-induced emission https://t.co/K0uQX3KSrb
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Our latest work on ML photodynamics for molecular aggregates is just out! https://t.co/C3ety3YfMk 50-day free download here https://t.co/wdwHP3SNfq. Please share! #compchem #ML @StevenLopez_neu @saalgueroo @liwang86465984
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Delighted to have the final version of this paper with the amazing @Jingbai_Li, @FedeJHernandez, @saalgueroo and @StevenLopez_neu. Want to know more about SF in the pentacene crystal? Here we use ML for accelerated-NAD with PyRAI2MD and fromage!
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Check our latest work on generating balanced training data for learning photochemical reactions! https://t.co/nI5ZtgcB2q
#ML #compchem
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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 https://t.co/qLpaBcTMVB
#compchem #MachineLearning
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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 chโฆ
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Chemists have synthesized perfluorocubane for the first time. The molecule, CโFโ, has long interested chemists โnot only for its beautiful structure, but also for its electron acceptivity and intermolecular interactionsโ
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. ๐ตI have several postdocs opportunities in developing and applying machine learning methods for chemistry and materials! Come and join us!๐โโ๏ธ๐๐ฉโ๐๐งโ๐๐จโ๐
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Flying back to China after an exhausted journey.๐ท Now Iโm thrilled to announce Iโll be starting my lab this fall in the Hoffmann Institute of Advanced Materials at Shenzhen polytechnics.๐ Looking for passionate postdocs in #MachineLearning #compchem and #photochem. DM me!๐
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The application for the NSF-supported CyberTraining Summer School and Workshop on the Excited States and Nonadiabatic Dynamics in Materials is now open. This summer it is in person! Please, find more detail in the flier attached and at the event website https://t.co/YeUsGnQfVp.
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Super exited to announce that Iโll 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 Iโll 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! https://t.co/stFJO8g1aK. 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 ฯC-C...
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Our Cover Art for #machinelearning photodynamics simulations to cubanes https://t.co/VNLLENspDx 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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Wanted to model the #excited_states and #nonadaibatic #dynamics in extended (#nanoscale/solid-state) #materials? Perhaps have used Pyxaid or Libra software? Considered contributing to this code? Want to visit #Buffalo in January? Then consider this:
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Computational Chemistry Daily is out! https://t.co/RLfNriH8Is Stories via @MLSTjournal @paolagorigiorgi @Jingbai_Li
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