杨金龙｜清华大学｜学者主页

2026

以AI4S创新平权夯实化学物质创造能力

靳梦楚，汪万东，张军，罗毅，谢在库，杨金龙，江俊

《中国科学院院刊》，Vol. 41, No. 6

下载原文

2026

Unveiling the physical meaning of transformer attention in neural network quantum states:A conditional mutual information perspective

阮天雨，阚博文，孙艺轩，商红慧，张世华，杨金龙

Chinese Physics B

2026

面向分子与材料体系的生成式神经网络量子态方法

商红慧，杨金龙

《物理》

2026

Hidden Electrides in Alkali Auride Bimetallenes With Programmable Anionic Electron Lattices

Kai Zhang, Yifan Li, Hai-Feng Lv, Xiao-Jun Wu, Jinlong Yang

Advanced Functional Materials

DOI

2026

Geometry-Driven Magnetoelectric Coupling in Two-Dimensional Compensated Ferrimagnets

Pei-Bo Xu, Yi-Xuan Che, Hai-Feng Lv, Xiao-Jun Wu, Jinlong Yang

2026

Polarization-induced reversible electron–hole migration and redox reaction switching in ferroelectric single-atom photocatalysts

Yuan Tang, Cen-Feng Fu, Xing-Xing Li, Jinlong Yang

Chemical Science

DOI

2026

Noninnocent Ligands as a Design Strategy for Fully Compensated Ferrimagnetism in Two-Dimensional Metal-Organic Frameworks.

Yuxuan Li, Yi-Xuan Che, Hai-Feng Lv, Xiao-Jun Wu, Jinlong Yang

Journal of the American Chemical Society

DOI

2025

Exploring stable Lieb lattices in two-dimensional binary metal-inorganic frameworks: a high-throughput screening approach

Kai Zhang, Yifan Li, Dayong Wang, Hai-Feng Lv, Xiao-Jun Wu, Jinlong Yang

npj Computational Materials

DOI

2025

Microscopic Mechanism of Coexisting Electron Spin Resonance and Kondo Resonance in a Single Iron Phthalocyanine Molecule.

Qi Chen, Hong-Jian Du, Xinyong Meng, Ju-Feng Wang, Jing Liao, Bin Li, Wei Hu, Qi-Tang Fan, Shi-Jing Tan, Chuan-Xu Ma, Jinlong Yang, J.-G. Hou, Bing Wang

Physical Review Letters

DOI

2025

Engineering Altermagnetic States in Two-Dimensional Square Tessellations.

Yi-Xuan Che, Hai-Feng Lv, Xiao-Jun Wu, Jinlong Yang

Physical Review Letters

DOI

2022

Transition metal dichalcogenide magnetic atomic chains

Kai Zhang, Xiao-Jun Wu, Jinlong Yang

Nanoscale Advances

DOI

SPECIAL TOPIC: Computation-assisted Materials Screening and Design Two-dimensional alkali auride bimetallene semiconductors

Kai Zhang, Hai-Feng Lv, Xiao-Jun Wu, Jinlong Yang

杨金龙

精选作品

期刊论文

以AI4S创新平权夯实化学物质创造能力

Unveiling the physical meaning of transformer attention in neural network quantum states:A conditional mutual information perspective

面向分子与材料体系的生成式神经网络量子态方法

Hidden Electrides in Alkali Auride Bimetallenes With Programmable Anionic Electron Lattices

Geometry-Driven Magnetoelectric Coupling in Two-Dimensional Compensated Ferrimagnets

Polarization-induced reversible electron–hole migration and redox reaction switching in ferroelectric single-atom photocatalysts

Noninnocent Ligands as a Design Strategy for Fully Compensated Ferrimagnetism in Two-Dimensional Metal-Organic Frameworks.

Exploring stable Lieb lattices in two-dimensional binary metal-inorganic frameworks: a high-throughput screening approach

Microscopic Mechanism of Coexisting Electron Spin Resonance and Kondo Resonance in a Single Iron Phthalocyanine Molecule.

Engineering Altermagnetic States in Two-Dimensional Square Tessellations.

Transition metal dichalcogenide magnetic atomic chains

SPECIAL TOPIC: Computation-assisted Materials Screening and Design Two-dimensional alkali auride bimetallene semiconductors