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Scientific Reports
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November 10, 2025
Quantitative characterization and optimization of fracability in continental shale reservoirs
Lixue Cheng, Hongxian Gao, Hu Li
Journal of Chemical Theory and Computation
|
January 3, 2024
Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach
Jiace Sun, Lixue Cheng, Weitang Li
Journal of Chemical Theory and Computation
|
July 20, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space
Lixue Cheng, Jiace Sun, Thomas F Miller
Journal of Chemical Theory and Computation
|
July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F Miller
The Journal of Chemical Physics
|
September 15, 2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning
Jiace Sun, Lixue Cheng, Thomas F Miller
Precision Chemistry
|
June 1, 2026
Benchmarking Foundation Potentials against Quantum Chemistry Methods for Predicting Molecular Redox Potentials
Yicheng Chen, Lixue Cheng, Yan Jing, et al.
The Journal of Chemical Physics
|
April 8, 2019
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Lixue Cheng, Matthew Welborn, Anders S Christensen, et al.
Journal of Chemical Theory and Computation
|
October 23, 2019
Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning
Lixue Cheng, Nikola B Kovachki, Matthew Welborn, et al.
The Journal of Physical Chemistry. A
|
November 18, 2025
Diffusion Monte Carlo Study of the Structure and Spectroscopy of H<sub>3</sub>O<sup></sup>
Greta M Jacobson, Andrew W Webb, Lixue Cheng, et al.
Naunyn-Schmiedeberg'S Archives of Pharmacology
|
April 10, 2025
The targeting of YAP by kaempferol regulates bone homeostasis and improves osteoporosis in rats
Wencheng Liu, Rifu Liu, Yue Yang, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Scientific Reports
|
November 10, 2025
Quantitative characterization and optimization of fracability in continental shale reservoirs
Lixue Cheng, Hongxian Gao, Hu Li
Journal of Chemical Theory and Computation
|
January 3, 2024
Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach
Jiace Sun, Lixue Cheng, Weitang Li
Journal of Chemical Theory and Computation
|
July 20, 2022
Accurate Molecular-Orbital-Based Machine Learning Energies via Unsupervised Clustering of Chemical Space
Lixue Cheng, Jiace Sun, Thomas F Miller
Journal of Chemical Theory and Computation
|
July 25, 2018
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
Matthew Welborn, Lixue Cheng, Thomas F Miller
The Journal of Chemical Physics
|
September 15, 2022
Molecular dipole moment learning via rotationally equivariant derivative kernels in molecular-orbital-based machine learning
Jiace Sun, Lixue Cheng, Thomas F Miller
Precision Chemistry
|
June 1, 2026
Benchmarking Foundation Potentials against Quantum Chemistry Methods for Predicting Molecular Redox Potentials
Yicheng Chen, Lixue Cheng, Yan Jing, et al.
The Journal of Chemical Physics
|
April 8, 2019
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
Lixue Cheng, Matthew Welborn, Anders S Christensen, et al.
Journal of Chemical Theory and Computation
|
October 23, 2019
Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning
Lixue Cheng, Nikola B Kovachki, Matthew Welborn, et al.
The Journal of Physical Chemistry. A
|
November 18, 2025
Diffusion Monte Carlo Study of the Structure and Spectroscopy of H<sub>3</sub>O<sup></sup>
Greta M Jacobson, Andrew W Webb, Lixue Cheng, et al.
Naunyn-Schmiedeberg'S Archives of Pharmacology
|
April 10, 2025
The targeting of YAP by kaempferol regulates bone homeostasis and improves osteoporosis in rats
Wencheng Liu, Rifu Liu, Yue Yang, et al.
Page
of 3