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Efficient Atomic-Resolution Uncertainty Estimation for Neural Network Potentials Using a Replica Ensemble

The journal of physical chemistry letters, 2020-08, Vol.11 (15), p.6090-6096

2020

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Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials

npj computational materials, 2021-08, Vol.7 (1), p.1-9, Article 131

2021

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Modified Activation-Relaxation Technique (ARTn) Method Tuned for Efficient Identification of Transition States in Surface Reactions

Journal of chemical theory and computation, 2024-09, Vol.20 (18), p.8024-8034

2024

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Electrochemical Degradation of Pt3Co Nanoparticles Investigated by Off-Lattice Kinetic Monte Carlo Simulations with Machine-Learned Potentials

ACS catalysis, 2023-12, Vol.13 (24), p.16078-16087

2023

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Solution-Processed Cu2S Nanostructures for Solar Hydrogen Production

Chemistry of materials, 2023-03, Vol.35 (6), p.2371-2380

2023

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Controlled Assembly of Plasmonic Nanoparticles: From Static to Dynamic Nanostructures

Advanced materials (Weinheim), 2021-11, Vol.33 (46), p.n/a

2021

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Highly Reversible Lithium Host Materials for High‐Energy‐Density Anode‐Free Lithium Metal Batteries

Advanced functional materials, 2022-11, Vol.32 (47), p.n/a

2022

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Domain-Selective Enzymatic Cross-linking and Etching for Shape-Morphing DNA-Linked Nanoparticle Films

Nano letters, 2024-02, Vol.24 (8), p.2574-2580

2024

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Shape‐Changing DNA‐Linked Nanoparticle Films Dictated by Lateral and Vertical Patterns

Advanced materials (Weinheim), 2022-04, Vol.34 (13), p.e2109091-n/a

2022

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Nondirected Pd-Catalyzed C–H Perdeuteration and meta-Selective Alkenylation of Arenes Enabled by Pyrazolopyridone Ligands

ACS catalysis, 2023-04, Vol.13 (7), p.4042-4052

2023

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Elucidation of hole transport mechanism in efficient energy cascade organic photovoltaics using triple donor system

Applied surface science, 2022-02, Vol.576, p.151747, Article 151747

2022

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Synergistic effect of oxygen vacancy and dual electrocatalysts in activating anion redox in lithia-based cathodes

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-12, Vol.1 (47), p.2555-2562

2022

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Effect of Monovalent Metal Iodide Additives on the Optoelectric Properties of Two-Dimensional Sn-Based Perovskite Films

Chemistry of materials, 2021-04, Vol.33 (7), p.2498-2505

2021

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TFSI Anion Grafted Polymer as an Ion-Conducting Protective Layer on Magnesium Metal for Rechargeable Magnesium Batteries

Energy Storage Materials, 2022-10, Vol.51, p.108-121

2022

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A Therapeutic Nanovaccine that Generates Anti‐Amyloid Antibodies and Amyloid‐specific Regulatory T Cells for Alzheimer's Disease

Advanced materials (Weinheim), 2023-01, Vol.35 (3), p.e2207719-n/a

2023

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Energy level alignment at C60/DTDCTB/PEDOT:PSS interfaces in organic photovoltaics

Applied surface science, 2017-04, Vol.402, p.41-46

2017

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Atomically dispersed platinum electrocatalysts supported on gadolinia-doped ceria nanoparticles for practical high-temperature solid oxide cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-11, Vol.11 (46), p.25298-2537

2023

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Catalytic Pyrolysis as a Technology to Dispose of Herbal Medicine Waste

Catalysts, 2020-08, Vol.10 (8), p.826

2020

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Suppression of processing defects in large-scale anode of planar solid oxide fuel cell via multi-layer roll calendering

Journal of alloys and compounds, 2020-01, Vol.812, p.152113, Article 152113

2020

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Reversible Polarity Control in 2D MoTe2 Field‐Effect Transistors for Complementary Logic Gate Applications

Advanced functional materials, 2024-10, Vol.34 (41), p.n/a

2024

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Highly durable solid oxide fuel cells: suppressing chemical degradation via rational design of a diffusion-blocking layer

Journal of materials chemistry. A, Materials for energy and sustainability, 2018, Vol.6 (31), p.15083-15094

2018

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Fire-Inhibiting Nonflammable Gel Polymer Electrolyte for Lithium-Ion Batteries

ACS energy letters, 2023-11, Vol.8 (11), p.4650-4657

2023

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Identification of estrogenic activity change in sewage, industrial and livestock effluents by gamma-irradiation

Radiation physics and chemistry (Oxford, England : 1993), 2012-11, Vol.81 (11), p.1757-1762

2012

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Efficient Atomic-Resolution Uncertainty Estimation for Neural Network Potentials Using a Replica Ensemble

Metadynamics sampling in atomic environment space for collecting training data for machine learning potentials

Modified Activation-Relaxation Technique (ARTn) Method Tuned for Efficient Identification of Transition States in Surface Reactions

Electrochemical Degradation of Pt3Co Nanoparticles Investigated by Off-Lattice Kinetic Monte Carlo Simulations with Machine-Learned Potentials

Solution-Processed Cu2S Nanostructures for Solar Hydrogen Production

Controlled Assembly of Plasmonic Nanoparticles: From Static to Dynamic Nanostructures

Highly Reversible Lithium Host Materials for High‐Energy‐Density Anode‐Free Lithium Metal Batteries

Domain-Selective Enzymatic Cross-linking and Etching for Shape-Morphing DNA-Linked Nanoparticle Films

Shape‐Changing DNA‐Linked Nanoparticle Films Dictated by Lateral and Vertical Patterns

Nondirected Pd-Catalyzed C–H Perdeuteration and meta-Selective Alkenylation of Arenes Enabled by Pyrazolopyridone Ligands

Elucidation of hole transport mechanism in efficient energy cascade organic photovoltaics using triple donor system

Synergistic effect of oxygen vacancy and dual electrocatalysts in activating anion redox in lithia-based cathodes

Effect of Monovalent Metal Iodide Additives on the Optoelectric Properties of Two-Dimensional Sn-Based Perovskite Films

TFSI Anion Grafted Polymer as an Ion-Conducting Protective Layer on Magnesium Metal for Rechargeable Magnesium Batteries

A Therapeutic Nanovaccine that Generates Anti‐Amyloid Antibodies and Amyloid‐specific Regulatory T Cells for Alzheimer's Disease

Energy level alignment at C60/DTDCTB/PEDOT:PSS interfaces in organic photovoltaics

Atomically dispersed platinum electrocatalysts supported on gadolinia-doped ceria nanoparticles for practical high-temperature solid oxide cells

Catalytic Pyrolysis as a Technology to Dispose of Herbal Medicine Waste

Suppression of processing defects in large-scale anode of planar solid oxide fuel cell via multi-layer roll calendering

Reversible Polarity Control in 2D MoTe2 Field‐Effect Transistors for Complementary Logic Gate Applications

Highly durable solid oxide fuel cells: suppressing chemical degradation via rational design of a diffusion-blocking layer

Fire-Inhibiting Nonflammable Gel Polymer Electrolyte for Lithium-Ion Batteries

Identification of estrogenic activity change in sewage, industrial and livestock effluents by gamma-irradiation

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