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40 积分 2025-01-02 加入
Excited-State Wave Functions and Energies Predicted by Machine Learning Based on Graph Neural Networks
9小时前
已完结
Structural Evolution of Rutile TiO_{2}(110)-(1×2) Reconstruction Driven by Oxygen-Promoted Titanium Migration
9小时前
已完结
Screening of Silver-Based Single-Atom Alloy Catalysts for NO Electroreduction to NH3 by DFT Calculations and Machine Learning
1个月前
已完结
Phase-selective Floquet engineering in a charge density wave material
1个月前
已完结
Achieving Fast Ion/Electron Transportation and Smooth Phase Transition in Polyanion Cathode by the High Entropy Strategy
1个月前
已完结
High‐Entropy Metal Ammonium Phosphate Superstructure Nanocatalysts for Highly Efficient Water Oxidation and Methanol Oxidation
1个月前
已完结
Ab initio real-time quantum dynamics of charge carriers in momentum space
1个月前
已完结
Selective CO 2 ‐to‐CH 4 Photoconversion in Aqueous Solutions Catalyzed by Atomically Dispersed Copper Sites Anchored on Ultrathin Graphdiyne Oxide Nanosheets
1个月前
已完结
Ab initio characterization and experimental validation on the roles of oxygen-containing groups in graphene based formaldehyde sensors
2个月前
已完结
Interpretable machine learning-guided plasma catalysis for hydrogen production
3个月前
已完结
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