Automatic Screen‐out of Ir(III) Complex Emitters by Combined Machine Learning and Computational Analysis (Advanced Optical Materials 18/2023)
Source abstract
Abstract
In article number number 2301093, Zifeng Zhao, Qi Ou, and co-workers carry out an automatic high-throughput virtual screening for light-emitting Ir(III) complexes based on accurately benchmarked quantum chemistry methodology and an advanced molecular representation learning technique. Promising candidates that have not been previously reported are screened out, for both lighting and displaying purposes.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Machine Learning in Materials Science
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Affiliations
School of Mathematical Sciences Peking University Beijing 100871 P. R. China
AI for Science Institute Beijing 100084 P. R. China
School of Advanced Energy Sun Yat‐Sen University Shenzhen 518107 P. R. China
MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering Department of Chemistry Tsinghua University Beijing 100084 P. R. China
HEDPS, CAPT, College of Engineering and School of Physics Peking University Beijing 100871 P. R. China
DP Technology Beijing 100080 P. R. China
References
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