赵润东｜北京航空航天大学｜学者主页

期刊论文

2026

Machine learning for functional materials: insights from compositional, electronic, and dynamic processes

Zheng Pan, Lyujie Wei, Tianying Wang, Zirui Zhao, Haifeng Li, Rundong Zhao

AAPPS bulletin

DOI

2026

A transformed coordinate approach to accurate and efficient solutions of many-electron Schrödinger equations for molecules

Yanoar P.Sarwono, L. K. Permatahati, Hadyan L.Prihadi, Rundong Zhao, Rui-Qin Q. Zhang

Chemical Physics Letters

DOI

2025

Prediction of frontier band spin splitting in 2D perovskites via deep neural networks

Deyang Liang, Zheng Pan, Siyuan Zhang, Zhaoyang Zhang, Ruyi Song, Rundong Zhao

npj Computational Materials

DOI

2022

Multi-Functional Switch Effect in Interlocking Molecular Rotators-on-Graphene Systems Using Electric Fields

Xiao-Bo Li, Fei Qi, Rundong Zhao, Zijie Qiu, Yun Li, Meng-Qiu Long, Guanghui Zhou

Journal of Materials Chemistry C

DOI

2022

Surface-Mounted Dipolar Molecular Rotors Driven by External Electric Field, As Revealed by Torque Analyses

Yan-ling Zhao, Wanxing Lin, Kulpavee Jitapunkul, Rundong Zhao, Rui Zhang, M. Van Hove

ACS Omega

DOI

2021

一维函数方法求解原子和分子薛定谔方程（英文）

SARWONO Yanoar Pribadi, UR RAHMAN Faiz, 赵润东, 张瑞勤

《高等学校化学学报》

2021

Solutions of Atomic and Molecular Schrödinger Equations with One-dimensional Function Approach

Y. P. Sarwono, F. Rahman, Rundong Zhao, Rui-Qin Q. Zhang

DOI

2021

Quasi-four-component method with numeric atom-centered orbitals for relativistic density functional simulations of molecules and solids

Rundong Zhao, Victor Wen-zhe Yu, Kimberly Zhang, Yun-Long Xiao, Yong Zhang, V. Blum

Physical review B

DOI

2021

Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites

Manoj K. Jana, Ruyi Song, Yi Xie, Rundong Zhao, P. Sercel, V. Blum, D. B. Mitzi

Nature Communications

DOI

2020

Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling

Manoj K. Jana, Ruyi Song, Hao-Liang Liu, D. Khanal, S. Janke, Rundong Zhao, Chi Liu, Z. Vardeny, V. Blum, D. B. Mitzi

Nature Communications

DOI

2019

Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu(1 1 1)

Yan-ling Zhao, Rundong Zhao, Fei Qi, Rui-Qin Q. Zhang, M. Van Hove

Applications of Surface Science

DOI

2018

A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions

Faiz ur Rahman, Rundong Zhao, Y. P. Sarwono, Rui-Qin Q. Zhang

International Journal of Quantum Chemistry

DOI

2018

Intermolecular orbital interaction in π systems

Rundong Zhao, Rui-Qin Q. Zhang

DOI

2018

Interlocking Mechanism between Molecular Gears Attached to Surfaces.

Rundong Zhao, Yan-ling Zhao, Fei Qi, K. Hermann, Rui-Qin Q. Zhang, M. Van Hove

ACS Nano

DOI

2018

Fragment motion in motor molecules: basic concepts and application to intra-molecular rotations.

K. Hermann, Fei Qi, Rundong Zhao, Rui-Qin Q. Zhang, M. Van Hove

Physical Chemistry, Chemical Physics - PCCP

DOI

2018

Interlocking Molecular Gear Chains Built on Surfaces.

Rundong Zhao, Fei Qi, Yan-ling Zhao, K. Hermann, Rui-Qin Q. Zhang, M. Van Hove

Journal of Physical Chemistry Letters

DOI

2018

Higher-generation type III-B rotaxane dendrimers with controlling particle size in three-dimensional molecular switching

Chak Kwan, Rundong Zhao, M. Van Hove, Zongwei Cai, K. Leung

Nature Communications

DOI

2018

How Does the Flexibility of Molecules Affect the Performance of Molecular Rotors?

Rundong Zhao, Fei Qi, Rui-Qin Q. Zhang, M. Van Hove

Journal of Physical Chemistry C

DOI

2017

Tunneling lifetimes of electrons escaping from atoms under a static electric field.

Rundong Zhao, Y. P. Sarwono, Rui-Qin Q. Zhang

Journal of Chemical Physics

DOI

2017

Beyond the electrostatic model: the significant roles of orbital interaction and the dispersion effect in aqueous-π systems.

Rundong Zhao, Rui-Qin Q. Zhang

Physical Chemistry, Chemical Physics - PCCP

DOI

2017

Improved projected Green's function approach to electron tunneling lifetime calculations in quantum wells

Hong-Shuai Tao, Rundong Zhao, Y. P. Sarwono, Rui-Qin Q. Zhang

DOI

2016

Exact two-component relativistic energy band theory and application.

Rundong Zhao, Yong Zhang, Yun-Long Xiao, Wenjian Liu

Journal of Chemical Physics

DOI

2016

A new insight into π-π stacking involving remarkable orbital interactions.

Rundong Zhao, Rui-Qin Q. Zhang

Physical Chemistry, Chemical Physics - PCCP

DOI

预印本

2026

A Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered Orbitals

Wentao Zhang, Rundong Zhao, Volker Blum

arXiv preprint

赵润东

精选作品

期刊论文

Machine learning for functional materials: insights from compositional, electronic, and dynamic processes

A transformed coordinate approach to accurate and efficient solutions of many-electron Schrödinger equations for molecules

Prediction of frontier band spin splitting in 2D perovskites via deep neural networks

Multi-Functional Switch Effect in Interlocking Molecular Rotators-on-Graphene Systems Using Electric Fields

Surface-Mounted Dipolar Molecular Rotors Driven by External Electric Field, As Revealed by Torque Analyses

一维函数方法求解原子和分子薛定谔方程（英文）

Solutions of Atomic and Molecular Schrödinger Equations with One-dimensional Function Approach

Quasi-four-component method with numeric atom-centered orbitals for relativistic density functional simulations of molecules and solids

Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites

Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling

Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu(1 1 1)

A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions

Intermolecular orbital interaction in π systems

Interlocking Mechanism between Molecular Gears Attached to Surfaces.

Fragment motion in motor molecules: basic concepts and application to intra-molecular rotations.

Interlocking Molecular Gear Chains Built on Surfaces.

Higher-generation type III-B rotaxane dendrimers with controlling particle size in three-dimensional molecular switching

How Does the Flexibility of Molecules Affect the Performance of Molecular Rotors?

Tunneling lifetimes of electrons escaping from atoms under a static electric field.

Beyond the electrostatic model: the significant roles of orbital interaction and the dispersion effect in aqueous-π systems.

Improved projected Green's function approach to electron tunneling lifetime calculations in quantum wells

Exact two-component relativistic energy band theory and application.

A new insight into π-π stacking involving remarkable orbital interactions.

预印本

A Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered Orbitals

研究方向

精选作品

期刊论文

Machine learning for functional materials: insights from compositional, electronic, and dynamic processes

A transformed coordinate approach to accurate and efficient solutions of many-electron Schrödinger equations for molecules

Prediction of frontier band spin splitting in 2D perovskites via deep neural networks

Multi-Functional Switch Effect in Interlocking Molecular Rotators-on-Graphene Systems Using Electric Fields

Surface-Mounted Dipolar Molecular Rotors Driven by External Electric Field, As Revealed by Torque Analyses

一维函数方法求解原子和分子薛定谔方程（英文）

Solutions of Atomic and Molecular Schrödinger Equations with One-dimensional Function Approach

Quasi-four-component method with numeric atom-centered orbitals for relativistic density functional simulations of molecules and solids

Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites

Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling

Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu(1 1 1)

A scheme of numerical solution for three-dimensional isoelectronic series of hydrogen atom using one-dimensional basis functions

Intermolecular orbital interaction in π systems

Interlocking Mechanism between Molecular Gears Attached to Surfaces.

Fragment motion in motor molecules: basic concepts and application to intra-molecular rotations.

Interlocking Molecular Gear Chains Built on Surfaces.

Higher-generation type III-B rotaxane dendrimers with controlling particle size in three-dimensional molecular switching

How Does the Flexibility of Molecules Affect the Performance of Molecular Rotors?

Tunneling lifetimes of electrons escaping from atoms under a static electric field.

Beyond the electrostatic model: the significant roles of orbital interaction and the dispersion effect in aqueous-π systems.

Improved projected Green's function approach to electron tunneling lifetime calculations in quantum wells

Exact two-component relativistic energy band theory and application.

A new insight into π-π stacking involving remarkable orbital interactions.

预印本

A Large-scale Parallel Implementation of Quasi-Four-Component Relativistic Density Functional Theory with Numeric Atom-centered Orbitals

研究方向

Substrate-mediated and temperature-modulated long-range interactions between bromine adatom stripes on Cu(1 1 1)