Xingchen Liu

Assistant Professor of Computational Chemistry @ Institute of Coal Chemistry Chinese Academy of Sciences,
Youth Editor of The Innovation

[Xingchen Liu @XingchenLiu_CAS]

https://t.co/95Njq5Bbd9

[Xingchen Liu @XingchenLiu_CAS]

Tired of the trail-and-error procedures in calculating the energy barriers for catalytic reactions? Try out the Gas-Solid Nanoreactor developed by our group.

Automated Exploration of Heterogeneous Catalysis with a Gas–Solid Nanoreactor | ACS Catalysis

[FAIR Chemistry @OpenCatalyst]

A month back, we released the Open Catalyst demo, enabling adsorption energy calculations ~1000x faster than DFT using ML potentials: https://t.co/J6KyClAcFI

Today we’re publishing two case studies of how the demo can accelerate research in catalyst discovery!

🧵

[The Innovation Materials @Innov_Materials]

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

https://t.co/2Vi6AfJybP

[The Innovation Materials @Innov_Materials]

Discover groundbreaking methods to boost the conversion of CO2 into valuable multi-carbon fuels using copper electrodes. 🚀
#CO2Reduction #RenewableEnergy @The_InnovationJ @SmartMat2
https://t.co/XwnXTUl8QM

[The Innovation Materials @Innov_Materials]

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

https://t.co/Ir8vZvq0v2

[The Innovation Materials @Innov_Materials]

The Innovation Materials (Commentary)

Band anisotropy in thermoelectric materials
@ZJU_China @Scieducation1 @CCSChemistry @NatureComms @ScienceMagazine @CHNSci @ChinChemLett @SmartMat2 @The_InnovationJ

https://t.co/n9uUSqtRCf

[The Innovation Materials @Innov_Materials]

The Innovation Materials (Commentary)

Self-assembled monolayer meets all-perovskite tandem solar cells
@guohua_xie @maxplanckpress @SydneyNano @xiamenuni @NatureEnergyJnl @ScienceMagazine @Nature @AdvSciNews @ChinChemLett @SmartMat2

https://t.co/GkCxXDrsFP

[The Innovation Materials @Innov_Materials]

The Innovation Materials (NEWS & BUZZ)

Watching cubic ice grow with molecular resolution

@The_InnovationJ @Innov_Materials
Read more:
https://t.co/wMnRdYgbA9

[The Innovation Materials @Innov_Materials]

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.
https://t.co/b8a9uHdrnW

[Xingchen Liu @XingchenLiu_CAS]

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.
https://t.co/MOEohqZY5i

[Zhichang Liu @zhichang_liu]

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: https://t.co/dQyK0kbhGE
https://t.co/kKa9BU5rpV

[The Nobel Prize @NobelPrize]

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.”

[Fang Liu @FangLiu_Emory]

I'm excited to share the news that we just received two #Scialog awards from @RCSA1!

[Giuseppe Barca @GMJBarca]

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

[Xingchen Liu @XingchenLiu_CAS]

In this recently out @ACSCatalysis paper, we quantified the electron transfer from the orbitals of CoCp- fragments to the Pt(111) surface.
https://t.co/QQ0Iplqt5q

[the Kulik Group @KulikGroup]

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! https://t.co/hqSBvDEEhY

[Xingchen Liu @XingchenLiu_CAS]

@YiRen35578490 @J_A_C_S Congrates!

[Yi Ren Research Lab @YiRen35578490]

Happy to see our second paper on main-group element porous polymers accepted @J_A_C_S Thanks everyone contributed in the work!
https://t.co/rxUxeG4wWU

[Xingchen Liu @XingchenLiu_CAS]

@FangLiu_Emory @EmoryChem @acsprf Congrates!