Xingchen Liu @XingchenLiu_CAS
Assistant Professor of Computational Chemistry @ Institute of Coal Chemistry Chinese Academy of Sciences, Youth Editor of The Innovation Joined August 2021-
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A month back, we released the Open Catalyst demo, enabling adsorption energy calculations ~1000x faster than DFT using ML potentials: open-catalyst.metademolab.com Today we’re publishing two case studies of how the demo can accelerate research in catalyst discovery! 🧵
Just published in The Innovation Materials: "Opportunity of lead-free metal halide perovskites for electroluminescence"! 🌟 Explore the exciting potential of eco-friendly lighting. #Perovskites #Electroluminescence the-innovation.org/article/doi/10…
Discover groundbreaking methods to boost the conversion of CO2 into valuable multi-carbon fuels using copper electrodes. 🚀 #CO2Reduction #RenewableEnergy @The_InnovationJ @SmartMat2 the-innovation.org/article/doi/10…
The Innovation Materials (Commentary) Hydride ion conductor: A key material for innovative energy storage and conversion @dicp_cas @NatureMaterials @ScienceMagazine @Nature @J_A_C_S @The_InnovationJ doi.org/10.59717/j.xin…
The Innovation Materials (Commentary) Band anisotropy in thermoelectric materials @ZJU_China @Scieducation1 @CCSChemistry @NatureComms @ScienceMagazine @CHNSci @ChinChemLett @SmartMat2 @The_InnovationJ doi.org/10.59717/j.xin…
The Innovation Materials (Commentary) Self-assembled monolayer meets all-perovskite tandem solar cells @guohua_xie @maxplanckpress @SydneyNano @xiamenuni @NatureEnergyJnl @ScienceMagazine @Nature @AdvSciNews @ChinChemLett @SmartMat2 doi.org/10.59717/j.xin…
The Innovation Materials (NEWS & BUZZ) Watching cubic ice grow with molecular resolution @The_InnovationJ @Innov_Materials Read more: doi.org/10.59717/j.xin…
The Innovation Materials @Innov_Materials, an international journal of materials science, and a sister journal of The Innovation @The_InnovationJ, launched its first issue. See the unseen. change the unchanged. the-innovation.org/materials/About
In this @ScienceAdvances paper, in collaboration with experimental teams, we performed DFT-based NMR calculations to reveal the atomic-scale metal apportionment of mixed-metal MOFs, from which their complicated adsorption behavior can be understood. science.org/doi/10.1126/sc…
Our latest work on #MolecularStrainEngineering in @NatureSynthesis: Synthesis of contra-helical trefoil knots with mechanically tuneable spin-crossover properties @Westlake_Uni @isciverse @InnovationChem @MechChemPapers Free Read: rdcu.be/cXXAW doi.org/10.1038/s44160…
BREAKING NEWS: The Royal Swedish Academy of Sciences has decided to award the 2022 #NobelPrize in Chemistry to Carolyn R. Bertozzi, Morten Meldal and K. Barry Sharpless “for the development of click chemistry and bioorthogonal chemistry.”
Faster, more scalable, and more accurate large-scale quantum chemistry. Our @Supercomputing 22 paper is now ready. The largest fragment-based HF plus MP2 calculations: 146k atoms, 623k electrons, 1.5M basis functions, and 27,600 V100 @nvidia #gpus. @CompChemBioBot
In this recently out @ACSCatalysis paper, we quantified the electron transfer from the orbitals of CoCp- fragments to the Pt(111) surface. pubs.acs.org/doi/10.1021/ac…
How much time is wasted on failed #compchem calculations for catalyst discovery? @chenru_duan showed that a dynamic #ML classifier and a transferable rep. can generalize across intermediates and metals to predict calculation success! Now in @JCIM_JCTC! doi.org/10.1021/acs.jc…
Happy to see our second paper on main-group element porous polymers accepted @J_A_C_S Thanks everyone contributed in the work! pubs.acs.org/doi/10.1021/ja…
Machine learning accelerated calculation and design of electrocatalysts for CO2 reduction #MachineLearning #CO2Reduction #electrocatalyst @Wiley_Chemistry @wileyinresearch doi.org/10.1002/smm2.1…
Webinar: Manipulative #NanoBiotechnology for Personalized #Health #Wellness. Speaker: Ajeet Kaushik Ph. D. June 11, 2022 (Beijing Time, GMT+8) Saturday 21:00-22:00 Zoom ID: 858 5591 7727 Passcode:123456789
The Innovation is now 2 years old! From Volume 1 Issue 1 to Volume 3 Issue 3, The Innovation has published 229 articles, and indexed by ESCI recently. We thank all senior/youth editors for promoting this journal. We thank 1000+ authors published their excellent researches with us
Online now in @The_InnovationJ: Hyper-seq: A novel, effective, and flexible marker-assisted selection and genotyping approach. This new #technology can significantly improve the efficiency of #crop breeding. Learn more ⬇️ doi.org/10.1016/j.xinn… #Agricultural #patent #DNA
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A month back, we released the Open Catalyst demo, enabling adsorption energy calculations ~1000x faster than DFT using ML potentials: open-catalyst.metademolab.com Today we’re publishing two case studies of how the demo can accelerate research in catalyst discovery! 🧵
In this new preprint, Fangning investigated how various asphaltene molecules' fluorescence spectra change upon aggregation into homo and hetero dimers with the extended Frenkel Exciton model - go.shr.lc/3PxWywB
Really amazing to be able to reproduce and try simple calculations for catalyst discovery! Most importantly, we'd love to get some community contributions so please reach out if you're interested in writing a similar case study for us to host!
A month back, we released the Open Catalyst demo, enabling adsorption energy calculations ~1000x faster than DFT using ML potentials: open-catalyst.metademolab.com Today we’re publishing two case studies of how the demo can accelerate research in catalyst discovery! 🧵
Happy to see the paper is out! Synthesis and Photophysical Properties of Carbazole-Functionalized Diazaphosphepines via Sequent P–N Chemistry | The Journal of Organic Chemistry pubs.acs.org/doi/10.1021/ac…
Learn about how 2D materials are being explored for a wide range of applications in electronics, optoelectronics and biosensing
New academic year, fresh group photo! MHG group enjoyed a delightful picnic at Berkeley Marina!
Just published in The Innovation Materials: "Opportunity of lead-free metal halide perovskites for electroluminescence"! 🌟 Explore the exciting potential of eco-friendly lighting. #Perovskites #Electroluminescence the-innovation.org/article/doi/10…
Discover groundbreaking methods to boost the conversion of CO2 into valuable multi-carbon fuels using copper electrodes. 🚀 #CO2Reduction #RenewableEnergy @The_InnovationJ @SmartMat2 the-innovation.org/article/doi/10…
The Innovation Materials (Commentary) Hydride ion conductor: A key material for innovative energy storage and conversion @dicp_cas @NatureMaterials @ScienceMagazine @Nature @J_A_C_S @The_InnovationJ doi.org/10.59717/j.xin…
CMU @CmuScience Cloud Lab 😻 The future of chemistry is digital!
Napoleon crossing Alps. Great painting by David. Currently in Vienna. I am waiting for a contemporary painting “Zaluzhnyi, crossing Perekop in Crimea” 🇺🇦🤓🔥
The very first trip of X-lab in the last 3 years. This time is at my hometown, Dongshan Island.
Interesting case of diasteretopic protons at low temperatures. @NMRspectroscopy
There's an upside to jet lag.... 🌄
Happy to report that I was promoted Assistant-> Associate professor at @CMU_Chem @CmuScience @CarnegieMellon . Many thanks to the members of my lab, all students for their hard work and colleagues for their support 🙏🙏🙏
Self-assembled monolayer (SAM) plays a critical role in boosting the performance of perovskite solar cells. Here is our latest commentary on this issue.
The Innovation Materials (Commentary) Self-assembled monolayer meets all-perovskite tandem solar cells @guohua_xie @maxplanckpress @SydneyNano @xiamenuni @NatureEnergyJnl @ScienceMagazine @Nature @AdvSciNews @ChinChemLett @SmartMat2 doi.org/10.59717/j.xin…
The Innovation Materials (Commentary) Band anisotropy in thermoelectric materials @ZJU_China @Scieducation1 @CCSChemistry @NatureComms @ScienceMagazine @CHNSci @ChinChemLett @SmartMat2 @The_InnovationJ doi.org/10.59717/j.xin…
The Innovation Materials (Commentary) Self-assembled monolayer meets all-perovskite tandem solar cells @guohua_xie @maxplanckpress @SydneyNano @xiamenuni @NatureEnergyJnl @ScienceMagazine @Nature @AdvSciNews @ChinChemLett @SmartMat2 doi.org/10.59717/j.xin…
The Innovation Materials (NEWS & BUZZ) Watching cubic ice grow with molecular resolution @The_InnovationJ @Innov_Materials Read more: doi.org/10.59717/j.xin…
The Innovation Materials @Innov_Materials, an international journal of materials science, and a sister journal of The Innovation @The_InnovationJ, launched its first issue. See the unseen. change the unchanged. the-innovation.org/materials/About
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