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Massively parallelization strategy for material simulation using high‐dimensional neural network potential
1天前
待确认
The Mechanism of CO and CO2 Hydrogenation to Methanol over Cu‐Based Catalysts
1天前
已完结
Methanol Synthesis from CO2/CO Mixture on Cu–Zn Catalysts from Microkinetics-Guided Machine Learning Pathway Search
25天前
已完结
The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysts
27天前
已完结
CatTSunami: Accelerating Transition State Energy Calculations with Pretrained Graph Neural Networks
27天前
已完结
Accelerating Catalytic Reaction Network Exploration via Local Fine-tuning with Universal Machine Learning Interatomic Potentials
27天前
已完结
Chemical recycling of polyester textile wastes: shifting towards sustainability
1个月前
已完结
Life cycle assessment of enzymatic poly(ethylene terephthalate) recycling
1个月前
已完结
Acid catalyst screening for hydrolysis of post-consumer PET waste and exploration of acidolysis
1个月前
已完结
Interfacial Electron Modulation with Ionic Liquids: Dual Optimization of CO2 Confinement and Charge Transfer for Enhanced Electroreduction on Cu
2个月前
已完结
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