Haikuan Dong

Institute of Process Engineering, CAS

H指数:23

被引数:2,251

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Structure-dependent thermal transport in two-dimensional PdTe₂

二维PdTe<sub>2</sub>的结构依赖性热输运

International Journal of Heat and Mass Transfer

IF5.8

2026-08-310

PRE

NEP89: universal neuroevolution potential for inorganic and organic materials across 89 elements

NEP89：跨越89种元素的通用神经进化势能用于无机和有机材料

Nature Computational Science

IF18.3

2026-07-080

PRE

Molecular dynamics insights into CaF2 single crystal growth using neuroevolution potentials

利用神经进化势能对CaF2单晶生长的分子动力学研究

Modelling and Simulation in Materials Science and Engineering

IF2.4

2026-04-300

PRE

Anisotropic and isotropic elasticity and thermal transport in monolayer C24 networks from machine-learning molecular dynamics

各向异性与各向同性弹性以及单层C24网络中的热输运：基于机器学习的分子动力学研究

International Journal of Heat and Mass Transfer

IF5.8

2026-02-100

PRE

Coherent heat transport in graphene grain boundary superlattices

石墨烯晶界超晶格中的相干热输运

Physica Scripta

IF2.6

2025-08-140

PRE

Coherent and incoherent phonon transport in graphene/h-BN superlattice: A machine learning potential

石墨烯/h-BN超晶格中的相干与非相干声子输运：一种机器学习势

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

IF2.9

2025-07-010

PRE

Crystallization of h-BN by molecular dynamics simulation using a machine learning interatomic potential

使用机器学习原子间势通过分子动力学模拟h-bn的结晶

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2025-02-011

PRE

General-purpose machine-learned potential for 16 elemental metals and their alloys

NATURE COMMUNICATIONS

IF15.7

2024-11-251

OAAI

Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics

在机器学习分子动力学中校正力误差引起的晶格热导率低估

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-07-018

Thermal transports of 2D phosphorous carbides by machine learning molecular dynamics simulations

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

IF5.8

2024-06-014

PRE

Origin of low lattice thermal conductivity and mobility of lead-free halide double perovskites

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2023-11-017

PRE

Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene

单层准六方富勒烯的各向异性和高热导率: 与体相富勒烯的比较研究

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

IF5.8

2023-06-0141

OAAI

First-principles calculations of improving carrier mobility β-CsPbI3

MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING

IF4.6

2023-04-017

PRE

Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations

使用量子力学计算和机器学习分子动力学模拟对单层富勒烯网络的机械各向异性和脆弱性的原子见解

EXTREME MECHANICS LETTERS

IF4.5

2023-01-0146

OAAI

GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations

GPUMD: 一个用于构建精确的机器学习潜力和执行高效原子模拟的软件包

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-09-20153

Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport

PHYSICAL REVIEW B

IF3.7

2021-09-20209

Interpretation of apparent thermal conductivity in finite systems from equilibrium molecular dynamics simulations

PHYSICAL REVIEW B

IF3.7

2021-01-1912

OAAI

Thermal conductivity reduction in carbon nanotube by fullerene encapsulation: A molecular dynamics study

CARBON

IF11.6

2020-05-0125

OAAI

Phase-field crystal model for heterostructures

PHYSICAL REVIEW B

IF3.7

2019-10-1614

OAAI

Homogeneous nonequilibrium molecular dynamics method for heat transport and spectral decomposition with many-body potentials

PHYSICAL REVIEW B

IF3.7

2019-02-28129

OAAI

Haikuan Dong

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