Lv6
1902 积分 2022-12-08 加入
Completing density functional theory by machine learning hidden messages from molecules
12天前
已完结
A predictive machine learning force-field framework for liquid electrolyte development
26天前
已完结
Unlocking New Insights for Electrocatalyst Design: A Unique Data Science Workflow Leveraging Internet-Sourced Big Data
1个月前
已完结
Barrier Studies in the Halopropenes. II. Microwave Spectra, Molecular Structure, Dipole Moment, and the Barrier to Internal Rotation of the Methyl Group in 1,1-Difluoropropene
1个月前
已完结
Theoretical investigations on the OH radical mediated kinetics of cis- and trans-CH3CF=CHF and CH3CH=CF2 over temperature range of 200-400K
1个月前
已完结
Learning in continuous action space for developing high dimensional potential energy models
1个月前
已完结
Catalytic performance of alumina catalysts with different surface properties for the dehydrofluorination of HFC-134a (1,1,1,2-Tetrafluoroethane)
1个月前
已完结
Accelerating Li-based battery design by computationally engineering materials
2个月前
已完结
A generative model for inorganic materials design
2个月前
已完结
Active machine learning model for the dynamic simulation and growth mechanisms of carbon on metal surface
3个月前
已完结
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