Jun Yang

23PUBLICATIONS

22CO-AUTHORS

OptimisationNanometrologyTransport properties and non-equilibrium processesTheoretical quantum chemistryOrganic semiconductors

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Publications (23)

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|Jul 08, 2026

Multi-GPU MBE(3)-OSV-MP2 for Performant Large-Scale Ab Initio Calculations.

|May 16, 2025

A Writhed Möbius Nanobelt Derived from [7]Helicene.

Liping Ye, Chenyu Hu, Daiyue Yang

|Mar 29, 2025

Polarizable Water Model with Ab Initio Neural Network Dynamic Charges and Spontaneous Charge Transfer.

Qiujiang Liang, Jun Yang

|Feb 04, 2025

Accurate Neural Network Fine-Tuning Approach for Transferable Ab Initio Energy Prediction across Varying Molecular and Crystalline Scales.

Wai-Pan Ng, Zili Zhang, Jun Yang

|Jan 21, 2025

Molecular Orbital Tuning of Pentacene-Based Organic Semiconductors through N-Ethynylation of Dihydrodiazapentacene.

Li Zhang, Yujie Zhao, Jiasheng Li

|Feb 19, 2024

Anisotropic Metal-Metal Pauli Repulsion in Polynuclear d10 Metal Clusters.

Shuo Xu, Qingyun Wan, Jun Yang

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Frequent Collaborators

Chi-Ming Che

Qiujiang Liang

Qingyun Wan

Jian He

Qian Miao

Jun Yang

Ziyong Chen

Tsz-Lung Lam

Ni Zhao

Wei Lu

Frequent Collaborators

Chi-Ming Che

Qiujiang Liang

Qingyun Wan

Jian He