Concepedia

Lixue Cheng

LC

10

Publications

689

Citations

10

H-Index

2015

Active since

Affiliations

California Institute of Technology(Current)

Tencent (China)

Lixue Cheng is an author at California Institute of Technology specializing in molecular simulation, polymer chemistry, and molecular recognition.

ORCID

Top concepts

Publications per year

2015–2024

10

Publications

10

Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis

Matthew Welborn, Lixue Cheng, Thomas F. Miller · Journal of Chemical Theory and Computation · 2018 · 227 citations · Full text

Thermalized (350K) QM7b, GDB-13, water, and short alkane quantum chemistry dataset including MOB-ML features

Lixue Cheng, Matthew Welborn, Anders S. Christensen et al. · CaltechDATA · 2019 · 119 citations · Full text

Chemical Interactions of Polyethylene Glycols (PEGs) and Glycerol with Protein Functional Groups: Applications to Effects of PEG and Glycerol on Protein Processes

D. B. Knowles, Irina A. Shkel, Noel Phan et al. · Biochemistry · 2015 · 117 citations · Full text

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Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning

Lixue Cheng, Nikola Kovachki, Matthew Welborn et al. · Journal of Chemical Theory and Computation · 2019 · 68 citations

Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states

Tamara Husch, Jiace Sun, Lixue Cheng et al. · The Journal of Chemical Physics · 2021 · 52 citations · Full text

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