Robert Pollice Profile
Robert Pollice

@robpollice

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831
Following
172
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6
Statuses
421

Weekly #RobSelects on @[email protected] Assistant Professor for Computer-Aided Organic Synthesis @StratinghInst, @univgroningen (he/him/his)

Groningen, Netherlands
Joined December 2018
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@robpollice
Robert Pollice
2 years
RT @AlexBlokhuis: Recently, an #AI algorithm discovered a quantity in chemistry behaving like a conservation law. We now confirm it is one.….
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@robpollice
Robert Pollice
2 years
RT @RoVargasHdz: Published in @JChemPhys!! 🎉.Automatic diff. for inverse molecular design and parameter optimization. .
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@robpollice
Robert Pollice
2 years
RT @Huckgroup: Only 1 week left until the new episode of the Late Night Conference (LNC) where @robpollice will be our guest! .Get your FRE….
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@robpollice
Robert Pollice
2 years
RT @Huckgroup: We are happy to announce that our guest of 2nd episode of LNC is @robpollice from @StratinghInst.at @univgroningen! Get your….
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@robpollice
Robert Pollice
2 years
RT @MarioKrenn6240: New paper on the tech-details of SELFIES, a robust molecular string representation for AI in chemistry: .
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@robpollice
Robert Pollice
2 years
RT @Huckgroup: Another year passed and Late Night Conference is back in 2023!🎉This time, we'll combine Chemistry and AI! Our speakers are @….
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@robpollice
Robert Pollice
3 years
RT @kjelljorner: Doing molecular multi-objective optimization with genetic algorithms? See this benchmarking work led by our talented under….
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@robpollice
Robert Pollice
3 years
RT @kjelljorner: Hückel theory is one of the most simple quantum chemistry methods and a favorite of every organic chemist. Here we show wi….
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@robpollice
Robert Pollice
3 years
RT @RoVargasHdz: Fresh!! .Fully differentiable Hückel model using #JAX. i) We optimize the atom types for different molecular frameworks to….
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@robpollice
Robert Pollice
3 years
New #Robselects paper and preprint of the week at
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@robpollice
Robert Pollice
3 years
It was a pleasure working with @c_lavigne, @gpassosgomes and @A_Aspuru_Guzik. The code of IACTA is available on @GitHub:
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@robpollice
Robert Pollice
3 years
This one was a long time coming and finally found its home in @ChemicalScience. Exploring chemical reaction pathways starting from just a set of substrates and defining a single reactive internal coordinate. #compchem
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@robpollice
Robert Pollice
3 years
#Robselects paper and preprint of the week to be found at
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@robpollice
Robert Pollice
3 years
#RobSelects paper of the week @ChemicalScience: Comprehensive investigation of ylide-substituted phosphine palladium(II) chloride complexes as robust precatalysts for cross coupling reactions. #catalysis
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@robpollice
Robert Pollice
3 years
#RobSelects preprint of the week @ChemRxiv: Combined spectroscopic and computational investigation of the structure of hydrogen chloride in ethereal solutions. #physchem
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@robpollice
Robert Pollice
3 years
#RobSelects preprint of the week @ChemRxiv: Combining literature data with high-throughput testing of an informer library to construct machine learning models for reaction outcome prediciton of iridium-catalyzed borylations. #cheminf
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@robpollice
Robert Pollice
3 years
#RobSelects paper of the week @ScienceMagazine: Visible light spectrometer with a low square micrometer footprint based on a single tunable van der Waals junction. #physchem
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@robpollice
Robert Pollice
3 years
RT @MarioKrenn6240: WUHUU - finally our "SELFIES and the future of molecular string representations" from a massive collaboration of 31 peo….
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@robpollice
Robert Pollice
3 years
#RobSelects paper of the week @J_A_C_S: Quantifying and modeling the effect of intramolecular hydrogen bond chains on intermolecular hydrogen bond interaction strength. #physorg
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@robpollice
Robert Pollice
3 years
RT @MarioKrenn6240: Super excited that our "On Scientific Understanding with Artificial Intelligence" is published in @NatRevPhys https://t….
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