DZ
Daye Zheng
cond-mat.mtrl-scianomalous Hall effectBerry curvaturescond-mat.mes-hallcond-mat.softcond-mat.str-elcs.LGMachine Learningnon-orthogonal atomic orbitalsphysics.chem-ph
On Valency
published · living versionsW_p3fnfa2t·v1 · currentpublished
Physical structure as an organizing principle for universal Hamiltonian learning
with Mingkang Liu, Zhanghao Zhouyin, Guanghui Wang, Lei Shen +1
1 version
W_xjmdhns4·v1published
Preprints & journals
13 papers in the corpus · 2017–2026Atomistic prediction of magnetic behaviour across chemistry, structure and temperature2610.24407v1 · Ruosong Shi, Chengbing Chen, Bicheng Liu et al.2026 · 0 citationsarXivon Valency
Iterative minimization in reduced density matrix functional theory for periodic systems2607.27679v1 · Kai Luo, Jingang Han, Peize Lin et al.2026 · 0 citationsarXiv
Comprehensive Structural Descriptors Enable Machine Learning Prediction of Perovskite Band Characteristics.41848807 · Ni, Zixuan, Zhang, Zhirui, Chen, Yiming et al.2026 · 1 citationThe journal of physical chemistry letters. 2026;17(13):3789-3795
Accelerating discovery of infrared nonlinear optical materials with large shift current via high-throughput screening2512.04717v2 · Aiqin Yang, Dian Jin, Mingkang Liu et al.2025 · 0 citationsnpj Comput Mater 12, 188 (2026)
ABACUS: An electronic structure analysis package for the AI era.41263655 · Zhou, Weiqing, Zheng, Daye, Liu, Qianrui et al.2025 · 28 citationsThe Journal of chemical physics. 2025;163(19)
Integrating Deep-Learning-Based Magnetic Model and Non-Collinear Spin-Constrained Method: Methodology, Implementation and Application2501.14382v3 · Daye Zheng, Xingliang Peng, Yike Huang et al.2025 · 1 citationarXiv
Implementation of the meta-GGA exchange-correlation functional in numerical atomic orbital basis: With systematic testing on SCAN, rSCAN, and r2SCAN functionals.37602804 · Liu, Renxi, Zheng, Daye, Liang, Xinyuan et al.2023 · 9 citationsThe Journal of chemical physics. 2023;159(7)
Implementation of the SCAN Exchange-Correlation Functional with Numerical Atomic Orbitals2305.19662v1 · Renxi Liu, Daye Zheng, Xinyuan Liang et al.2023 · 0 citationsarXiv
DeePKS + ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials.36455227 · Li, Wenfei, Ou, Qi, Chen, Yixiao et al.2022 · 18 citationsThe journal of physical chemistry. A. 2022;126(49):9154-9164
Calculation of Berry curvature using non-orthogonal atomic orbitals.34044372 · Jin, Gan, Zheng, Daye, He, Lixin2021 · 12 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2021;33(32)
Calculation of Berry curvature using nonorthogonal atomic orbitals2105.14662v1 · Jin Gan, Daye Zheng, Lixin He2021 · 0 citationsarXiv
Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics2001.03927v2 · Daye Zheng, Zhen-Xiong Shen, Mohan Chen et al.2020 · 5 citationsJournal of Nuclear Materials, 2020
First-principles molecular dynamics study of deuterium diffusion in liquid tin.28810782 · Liu, Xiaohui, Zheng, Daye, Ren, Xinguo et al.2018 · 14 citationsThe Journal of chemical physics. 2017;147(6):064505
Career total: 18 works. 13 are in this corpus.
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