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Active learning of uniformly accurate interatomic potentials for materials simulation

Physical review materials, 2019-02, Vol.3 (2), Article 023804

2019

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Deep neural network for the dielectric response of insulators

Physical review. B, 2020-07, Vol.102 (4), p.1, Article 041121

2020

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Viscosity in water from first-principles and deep-neural-network simulations

npj computational materials, 2022-07, Vol.8 (1), p.1-10, Article 139

2022

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Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional

Physical review. B, 2020-12, Vol.102 (21), p.1, Article 214113

2020

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Study on the mechanical and thermal properties of one-part geopolymer composite for high performance in energy piles

Case Studies in Construction Materials, 2023-12, Vol.19, p.e02230, Article e02230

2023

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Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

npj computational materials, 2021-12, Vol.7 (1), p.1-11, Article 206

2021

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Pretraining of attention-based deep learning potential model for molecular simulation

npj computational materials, 2024-05, Vol.10 (1), p.94-8, Article 94

2024

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Strain Regulation and Defect Passivation of FA‐Based Perovskite Materials for Highly Efficient Solar Cells

Advanced science, 2024-02, Vol.11 (7), p.e2305582-n/a

2024

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Structure of the rust layer of weathering steel in A high chloride environment: A detailed characterization via HRTEM, STEM-EDS, and FIB-SEM

Corrosion science, 2020-12, Vol.177, p.108997, Article 108997

2020

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Synthesis of heterostructure δ-MnO2/h-MoO3 nanocomposite and the enhanced photodegradation activity of methyl orange in aqueous solutions

Journal of materials science, 2020-03, Vol.55 (8), p.3329-3346

2020

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Deep potentials for materials science

Materials futures, 2022-06, Vol.1 (2), p.22601

2022

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Deep learning of accurate force field of ferroelectric HfO2

Physical review. B, 2021-01, Vol.103 (2), p.024108

2021

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Efficiently Trained Deep Learning Potential for Graphane

Journal of physical chemistry. C, 2021-07, Vol.125 (27), p.14874-14882

2021

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Conformal polishing of a glass microlens array through oxyhydrogen flame-induced viscoelasticity flow at nano/microscale

Journal of materials processing technology, 2024-07, Vol.328, p.118420, Article 118420

2024

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A General and Ultrafast Polishing Method with Truly Atomic Roughness

The journal of physical chemistry letters, 2023-10, Vol.14 (42), p.9441-9447

2023

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Determining the thermal conductivity and phonon behavior of SiC materials with quantum accuracy via deep learning interatomic potential model

Journal of nuclear materials, 2024-04, Vol.591, p.154897, Article 154897

2024

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DeePKS Model for Halide Perovskites with the Accuracy of a Hybrid Functional

Journal of physical chemistry. C, 2023-09, Vol.127 (37), p.18755-18764

2023

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Facile synthesis of flower-like CQDs/S-Bi4O5Br2 composites as a highly efficient visible-light response photocatalyst for ciprofloxacin degradation

Journal of materials science, 2022, Vol.57 (3), p.1977-1993

2022

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A novel finishing approach for 3D printed inconel 718 by utilizing isotropic electrochemical etching

Journal of materials processing technology, 2022-01, Vol.299, p.117356, Article 117356

2022

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Facile synthesis of flower-like Bi2WO6/C3N4/CNT ternary composite with enhanced photoactivity: influencing factors and mechanism

Journal of materials science, 2020-11, Vol.55 (33), p.15945-15962

2020

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Convenient interface engineering of hierarchical flower spherical Bi-MOF/Bi2WO6 heterostructures for high-performance visible light photocatalytic degradation of tetracycline hydrochloride

Journal of materials science. Materials in electronics, 2024-03, Vol.35 (7), p.463, Article 463

2024

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Modelling of dislocations, twins and crack-tips in HCP and BCC Ti

International journal of plasticity, 2023-07, Vol.166, p.103644, Article 103644

2023

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A generalizable machine learning potential of Ag–Au nanoalloys and its application to surface reconstruction, segregation and diffusion

Modelling and simulation in materials science and engineering, 2022-03, Vol.30 (2), p.25003

2022

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MgO-template synthesis of hollow N/O dual-doped carbon boxes as extremely stable anodes for potassium-ion batteries

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-08, Vol.1 (34), p.17827-17837

2022

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Imaging and Controlling Ultrafast Electron Pulses Emitted from Plasmonic Nanostructures

Nano letters, 2023-08, Vol.23 (16), p.7327-7333

2023

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Active learning of uniformly accurate interatomic potentials for materials simulation

Deep neural network for the dielectric response of insulators

Viscosity in water from first-principles and deep-neural-network simulations

Isotope effects in molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on the SCAN functional

Study on the mechanical and thermal properties of one-part geopolymer composite for high performance in energy piles

Specialising neural network potentials for accurate properties and application to the mechanical response of titanium

Pretraining of attention-based deep learning potential model for molecular simulation

Strain Regulation and Defect Passivation of FA‐Based Perovskite Materials for Highly Efficient Solar Cells

Structure of the rust layer of weathering steel in A high chloride environment: A detailed characterization via HRTEM, STEM-EDS, and FIB-SEM

Synthesis of heterostructure δ-MnO2/h-MoO3 nanocomposite and the enhanced photodegradation activity of methyl orange in aqueous solutions

Deep potentials for materials science

Deep learning of accurate force field of ferroelectric HfO2

Efficiently Trained Deep Learning Potential for Graphane

Conformal polishing of a glass microlens array through oxyhydrogen flame-induced viscoelasticity flow at nano/microscale

A General and Ultrafast Polishing Method with Truly Atomic Roughness

Determining the thermal conductivity and phonon behavior of SiC materials with quantum accuracy via deep learning interatomic potential model

DeePKS Model for Halide Perovskites with the Accuracy of a Hybrid Functional

Facile synthesis of flower-like CQDs/S-Bi4O5Br2 composites as a highly efficient visible-light response photocatalyst for ciprofloxacin degradation

A novel finishing approach for 3D printed inconel 718 by utilizing isotropic electrochemical etching

Facile synthesis of flower-like Bi2WO6/C3N4/CNT ternary composite with enhanced photoactivity: influencing factors and mechanism

Convenient interface engineering of hierarchical flower spherical Bi-MOF/Bi2WO6 heterostructures for high-performance visible light photocatalytic degradation of tetracycline hydrochloride

Modelling of dislocations, twins and crack-tips in HCP and BCC Ti

A generalizable machine learning potential of Ag–Au nanoalloys and its application to surface reconstruction, segregation and diffusion

MgO-template synthesis of hollow N/O dual-doped carbon boxes as extremely stable anodes for potassium-ion batteries

Imaging and Controlling Ultrafast Electron Pulses Emitted from Plasmonic Nanostructures

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