Lv6
1670 积分 2023-10-17 加入
An ab-initio deep neural network potential for accurate large-scale simulations of the muscovite mica-water interface
12小时前
已完结
Multimodal out-of-distribution individual uncertainty quantification enhances binding affinity prediction for polypharmacology
7天前
已完结
Toward a unified benchmark and framework for deep learning-based prediction of nuclear magnetic resonance chemical shifts
2个月前
已完结
Tandem reactors and reactions for CO2 conversion
2个月前
已完结
Battery technologies for grid-scale energy storage
5个月前
已完结
Molecular dynamics simulations of the electric double layer capacitance of graphene electrodes in mono-valent aqueous electrolytes
5个月前
已完结
Voltage-dependent ordering of water molecules at an electrode–electrolyte interface
6个月前
已完结
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