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164 积分 2024-02-26 加入
Unlocking the Potential of Machine Learning in Co‐crystal Prediction by a Novel Approach Integrating Molecular Thermodynamics
19小时前
待确认
Catalytic Performances of Carbon‐Based Tetrel Bond Catalysis by Density Functional Theory and Machine Learning
2个月前
已完结
DFT-assisted machine learning for polyester membrane design in textile wastewater recovery applications
2个月前
已完结
Accelerated Screening of Highly Sensitive Gas Sensor Materials for Greenhouse Gases Based on DFT and Machine Learning Methods
2个月前
已完结
Screening of Silver-Based Single-Atom Alloy Catalysts for NO Electroreduction to NH3 by DFT Calculations and Machine Learning
2个月前
已完结
Machine Learning-Assisted Property Prediction of Solid-State Electrolyte
3个月前
已完结
Screening of Ionic Liquids for Efficient CO2 Cycloaddition Catalysis under Mild Condition: A Combined Machine Learning and DFT Approach
4个月前
已完结
Accelerating Discovery of Water Stable Metal−Organic Frameworks by Machine Learning
6个月前
已完结
Conversion of cellulose to 5-hydroxymethylfurfural in water-tetrahydrofuran and byproducts identification
7个月前
已完结
Predictive catalysis: a valuable step towards machine learning
7个月前
已完结
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