Xinyuan Liang

Employment

Employment history is unavailable.

Education

• Peking University

Projects & Funding

Projects & funding information is unavailable.

Publications (4)

• Investigating CO adsorption on Cu(111) and Rh(111) surfaces using machine learning exchange-correlation functionals
  AI for Science 2025 DOI: 10.1088/3050-287X/ae21fa
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• A Deep Learning Framework for the Electronic Structure of Water: Toward a Universal Model
  Journal of Chemical Theory and Computation 2025 DOI: 10.1021/acs.jctc.5c00496
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• Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals
  The Journal of Chemical Physics 2023 DOI: 10.1063/5.0160726
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• Structural and dynamic properties of solvated hydroxide and hydronium ions in water from ab initio modeling
  The Journal of Chemical Physics 2022 DOI: 10.1063/5.0094944
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