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DeePCG: Constructing coarse-grained models via deep neural networks

The Journal of chemical physics, 2018-07, Vol.149 (3), p.034101-034101

2018

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Raman spectrum and polarizability of liquid water from deep neural networks

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.1592-162

2020

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Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics

Chemical science (Cambridge), 2020-03, Vol.11 (9), p.2335-2341

2020

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Multi-UAV Data Collection and Path Planning Method for Large-Scale Terminal Access

Sensors (Basel, Switzerland), 2023-10, Vol.23 (20), p.8601

2023

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MSC Exosomes Containing Valproic Acid Promote Wound Healing by Modulating Inflammation and Angiogenesis

Molecules (Basel, Switzerland), 2024-09, Vol.29 (17), p.4281

2024

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Isotope effects in liquid water via deep potential molecular dynamics

Molecular physics, 2019-11, Vol.117 (22), p.3269-3281

2019

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Crystal Structure Prediction of Binary Alloys via Deep Potential

Frontiers in chemistry, 2020-11, Vol.8, p.589795-589795

2020

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Prediction of Marine Pycnocline Based on Kernel Support Vector Machine and Convex Optimization Technology

Sensors (Basel, Switzerland), 2019-03, Vol.19 (7), p.1562

2019

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Docosahexaenoic acid supresses breast cancer cell proliferation and migration by promoting the expression of miR-99a and targeting mTOR signaling

Arabian journal of chemistry, 2021-08, Vol.14 (8), p.103298, Article 103298

2021

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Hazard-Free Treatment of Electrolytic Manganese Residue and Recovery of High-Concentration SO2 Using High-Temperature Reduction Roasting Process

Separations, 2023-05, Vol.10 (5), p.288

2023

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Reinforced dynamics for enhanced sampling in large atomic and molecular systems

The Journal of chemical physics, 2018-03, Vol.148 (12), p.124113-124113

2018

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A deep potential model with long-range electrostatic interactions

The Journal of chemical physics, 2022-03, Vol.156 (12), p.124107-124107

2022

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Thermal Conductivity of Water at Extreme Conditions

The journal of physical chemistry. B, 2023-07, Vol.127 (31), p.7011-7017

2023

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DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models

Journal of chemical theory and computation, 2022-09, Vol.18 (9), p.5559-5567

2022

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Ground State Energy Functional with Hartree–Fock Efficiency and Chemical Accuracy

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-09, Vol.124 (35), p.7155-7165

2020

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One-pot synthesized NiFe2O4/CeO2 composite catalyst for efficient degradation of methylene blue via photocatalysis under visible light

Catalysis communications, 2023-12, Vol.185, p.106814, Article 106814

2023

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DeePKS: A Comprehensive Data-Driven Approach toward Chemically Accurate Density Functional Theory

Journal of chemical theory and computation, 2021-01, Vol.17 (1), p.170-181

2021

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Machine learning phase space quantum dynamics approaches

The Journal of chemical physics, 2021-05, Vol.154 (18), p.184104-184104

2021

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Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors

The Journal of chemical physics, 2021-03, Vol.154 (9), p.094703-094703

2021

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Effect of Fe/Sn doping on the photocatalytic performance of multi-shelled ZnO microspheres: experimental and theoretical investigations

Dalton transactions : an international journal of inorganic chemistry, 2019-09, Vol.48 (35), p.1326-13272

2019

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Machine learning assisted coarse-grained molecular dynamics modeling of meso-scale interfacial fluids

The Journal of chemical physics, 2023-02, Vol.158 (6), p.064104-064104

2023

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A study of thermal etching of GaN by atmospheric argon inductively coupled plasma

Thermochimica acta, 2023-06, Vol.724, p.179491, Article 179491

2023

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Oxidative carbonylation of phenol to diphenyl carbonate by Pd/MFe2O4 magnetic catalyst

Chemical Industry and Chemical Engineering Quarterly, 2015, Vol.21 (1-1), p.45-51

2015

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Synthesis of mesoporous ZnO/TiO2–SiO2 composite material and its application in photocatalytic adsorption desulfurization without the addition of an extra oxidant

Dalton transactions : an international journal of inorganic chemistry, 2020, Vol.49 (5), p.1600-1612

2020

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Machine-Learning-Based Interatomic Potentials for Group IIB to VIA Semiconductors: Toward a Universal Model

Journal of chemical theory and computation, 2024-07, Vol.20 (13), p.5717-5731

2024

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DeePCG: Constructing coarse-grained models via deep neural networks

Raman spectrum and polarizability of liquid water from deep neural networks

Free energy of proton transfer at the water–TiO2 interface from ab initio deep potential molecular dynamics

Multi-UAV Data Collection and Path Planning Method for Large-Scale Terminal Access

MSC Exosomes Containing Valproic Acid Promote Wound Healing by Modulating Inflammation and Angiogenesis

Isotope effects in liquid water via deep potential molecular dynamics

Crystal Structure Prediction of Binary Alloys via Deep Potential

Prediction of Marine Pycnocline Based on Kernel Support Vector Machine and Convex Optimization Technology

Docosahexaenoic acid supresses breast cancer cell proliferation and migration by promoting the expression of miR-99a and targeting mTOR signaling

Hazard-Free Treatment of Electrolytic Manganese Residue and Recovery of High-Concentration SO2 Using High-Temperature Reduction Roasting Process

Reinforced dynamics for enhanced sampling in large atomic and molecular systems

A deep potential model with long-range electrostatic interactions

Thermal Conductivity of Water at Extreme Conditions

DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models

Ground State Energy Functional with Hartree–Fock Efficiency and Chemical Accuracy

One-pot synthesized NiFe2O4/CeO2 composite catalyst for efficient degradation of methylene blue via photocatalysis under visible light

DeePKS: A Comprehensive Data-Driven Approach toward Chemically Accurate Density Functional Theory

Machine learning phase space quantum dynamics approaches

Deep potential generation scheme and simulation protocol for the Li10GeP2S12-type superionic conductors

Effect of Fe/Sn doping on the photocatalytic performance of multi-shelled ZnO microspheres: experimental and theoretical investigations

Machine learning assisted coarse-grained molecular dynamics modeling of meso-scale interfacial fluids

A study of thermal etching of GaN by atmospheric argon inductively coupled plasma

Oxidative carbonylation of phenol to diphenyl carbonate by Pd/MFe2O4 magnetic catalyst

Synthesis of mesoporous ZnO/TiO2–SiO2 composite material and its application in photocatalytic adsorption desulfurization without the addition of an extra oxidant

Machine-Learning-Based Interatomic Potentials for Group IIB to VIA Semiconductors: Toward a Universal Model

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