Lixue Cheng
California Institute of Technology(US)University of Shanghai for Science and Technology(CN)Hong Kong University of Science and Technology(HK)Microsoft (Germany)(DE)Liuzhou Maternal and Child Health Hospital(CN)Liuzhou General Hospital(CN)Division of Chemistry(US)Microsoft Research (India)(IN)Yantaishan Hospital(CN)Microsoft Research (United Kingdom)(GB)
Publications by Year
Research Areas
Machine Learning in Materials Science, Computational Drug Discovery Methods, Quantum Computing Algorithms and Architecture, Various Chemistry Research Topics, Advanced Chemical Physics Studies
Most-Cited Works
- → Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis(2018)228 cited
- → Chemical Interactions of Polyethylene Glycols (PEGs) and Glycerol with Protein Functional Groups: Applications to Effects of PEG and Glycerol on Protein Processes(2015)120 cited
- → Thermalized (350K) QM7b, GDB-13, water, and short alkane quantum chemistry dataset including MOB-ML features(2019)119 cited
- → Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning(2019)68 cited
- → Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states(2021)52 cited
- → Quantum approximate optimization via learning-based adaptive optimization(2024)34 cited