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"au:"Daye Zheng"" — arXiv2 Search
Showing 1–8 of 8 results
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Jan 12, 2020
Retention and Recycling of Deuterium in Liquid Lithium-Tin Slab Studied by First-Principles Molecular Dynamics
Jan 24, 2025
Integrating Deep-Learning-Based Magnetic Model and Non-Collinear Spin-Constrained Method: Methodology, Implementation and Application
May 31, 2023
Implementation of the SCAN Exchange-Correlation Functional with Numerical Atomic Orbitals
May 31, 2021
Calculation of Berry curvature using nonorthogonal atomic orbitals
Jan 15, 2025
ABACUS: An Electronic Structure Analysis Package for the AI Era
Jan 14, 2017
First-principles molecular dynamics study of deuterium diffusion in liquid tin
Dec 4, 2025
Accelerating discovery of infrared nonlinear optical materials with large shift current via high-throughput screening
Jun 21, 2022
DeePKS+ABACUS as a Bridge between Expensive Quantum Mechanical Models and Machine Learning Potentials