Xuecheng Shao

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Machine Learning

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

The journal of physical chemistry. B

Nature communications

This page only lists publications with an associated author ORCID identifier.

Publications

Shuo Tao, Xuecheng Shao, Li Zhu
Accelerating Structural Optimization through Fingerprinting Space Integration on the Potential Energy Surface. The journal of physical chemistry letters 15 (11) (2024)
Shuo Tao, Xuecheng Shao, Li Zhu
Accelerating Structural Optimization through Fingerprinting Space Integration on the Potential Energy Surface. The journal of physical chemistry letters (2024)
Xin Chen, Andres Cifuentes Lopez, Xuecheng Shao, Lirong Lin, Demyan E Prokopchuk, Michele Pavanello
Unraveling the Hydration Shell Structure and Dynamics of Group 10 Aqua Ions. The journal of physical chemistry letters 15 (20) (2024)
Xin Chen, Andres Cifuentes Lopez, Xuecheng Shao, Lirong Lin, Demyan E Prokopchuk, Michele Pavanello
Unraveling the Hydration Shell Structure and Dynamics of Group 10 Aqua Ions. The journal of physical chemistry letters (2024)
Zhandos A Moldabekov, Sebastian Schwalbe, Maximilian P Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R Graziani, Tobias Dornheim
Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen. Journal of chemical theory and computation 20 (1) (2023)
Zhandos A Moldabekov, Sebastian Schwalbe, Maximilian P Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R Graziani, Tobias Dornheim
Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen. Journal of chemical theory and computation (2023)
Zhandos A Moldabekov, Sebastian Schwalbe, Maximilian P Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R Graziani, Tobias Dornheim
Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen. Journal of chemical theory and computation 20 (1) (2023)
Zhandos A Moldabekov, Sebastian Schwalbe, Maximilian P Böhme, Jan Vorberger, Xuecheng Shao, Michele Pavanello, Frank R Graziani, Tobias Dornheim
Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen. Journal of chemical theory and computation 20 (1) (2023)
Jessica A Martinez B, Lukas Paetow, Johannes Tölle, Xuecheng Shao, Pablo Ramos, Johannes Neugebauer, Michele Pavanello
Which Physical Phenomena Determines the Ionization Potential of Liquid Water? The journal of physical chemistry. B (2023)
Xuecheng Shao, Lukas Paetow, Mark E Tuckerman, Michele Pavanello
Machine learning electronic structure methods based on the one-electron reduced density matrix. Nature communications 14 (1) (2023)
Xuecheng Shao, Andres Cifuentes Lopez, Md Rajib Khan Musa, Mohammad Reza Nouri, Michele Pavanello
Adaptive Subsystem Density Functional Theory. Journal of chemical theory and computation 18 (11) (2022)
Xuecheng Shao, Wenhui Mi, Michele Pavanello
Density Embedding Method for Nanoscale Molecule-Metal Interfaces. The journal of physical chemistry letters 13 (31) (2022)