Publications by authors named "Wanrun Jiang"

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dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets.
Jinzhe Zeng, Xingliang Peng, Yong-Bin Zhuang, Haidi Wang, Fengbo Yuan, Wanrun Jiang

J Chem Inf Model· November 2025

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DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials.
Jinzhe Zeng, Duo Zhang, Anyang Peng, Xiangyu Zhang, Sensen He, Wanrun Jiang

J Chem Theory Comput· May 2025

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DPA-2: a large atomic model as a multi-task learner.
Duo Zhang, Xinzijian Liu, Xiangyu Zhang, Chengqian Zhang, Chun Cai, Wanrun Jiang

NPJ Comput Mater· December 2024

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DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models.
Denghui Lu, Wanrun Jiang, Yixiao Chen, Linfeng Zhang, Weile Jia

J Chem Theory Comput· September 2022

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Pauli Repulsion Enhances Mobility of Ultraconfined Water.
Depeng Zhang, Xinrui Yang, Wanrun Jiang, Le Jin, Yi Gao

ACS Nano· February 2021

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The nature of small molecules adsorbed on defective carbon nanotubes.
Danhui Li, Fengting Wang, Zhiyuan Zhang, Wanrun Jiang, Yu Zhu

R Soc Open Sci· August 2019

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Binding for endohedral-metallofullerene superatoms induced by magnetic coupling.
Weiyu Xie, Wanrun Jiang, Yang Gao, Jia Wang, Zhigang Wang

Chem Commun (Camb)· November 2018

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Effect of confinement on water rotation via quantum tunnelling.
Depeng Zhang, Zhiyuan Zhang, Wanrun Jiang, Yi Gao, Zhigang Wang

Nanoscale· October 2018

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Engineering a red emission of copper nanocluster self-assembly architectures by employing aromatic thiols as capping ligands.
Lin Ai, Wanrun Jiang, Zhaoyu Liu, Jiale Liu, Yang Gao

Nanoscale· August 2017

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Unusual spin-polarized electron state in fullerene induced by carbon adatom defect.
Dexuan Xu, Yang Gao, Wanrun Jiang, Zhigang Wang

Nanoscale· June 2017

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Corrigendum: Molecular orbital analysis of the hydrogen bonded water dimer.
Bo Wang, Wanrun Jiang, Xin Dai, Yang Gao, Zhigang Wang

Sci Rep· July 2016

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Molecular orbital analysis of the hydrogen bonded water dimer.
Bo Wang, Wanrun Jiang, Xin Dai, Yang Gao, Zhigang Wang

Sci Rep· February 2016

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Charging-induced asymmetric spin distribution in an asymmetric (9,0) carbon nanotube.
Jia Wang, Wim G Roeterdink, Wanrun Jiang, Xing Dai, Yang Gao

Phys Chem Chem Phys· November 2015

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Depolymerization of Free-Radical Polymers with Spin Migrations.
Tianrong Yu, Yang Gao, Bo Wang, Xing Dai, Wanrun Jiang

Chemphyschem· October 2015

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U@C28: the electronic structure induced by the 32-electron principle.
Xing Dai, Yang Gao, Wanrun Jiang, Yanyu Lei, Zhigang Wang

Phys Chem Chem Phys· September 2015

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Slippage in stacking of graphene nanofragments induced by spin polarization.
Yanyu Lei, Wanrun Jiang, Xing Dai, Ruixia Song, Bo Wang

Sci Rep· June 2015

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Electronic delocalization in small water rings.
Bo Wang, Minsi Xin, Xing Dai, Ruixia Song, Yan Meng, Wanrun Jiang

Phys Chem Chem Phys· February 2015

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