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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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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 liquid water via deep potential molecular dynamics

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

2019

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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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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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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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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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Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials

The journal of physical chemistry. B, 2021-10, Vol.125 (41), p.11444-11456

2021

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Self-adaptive real-time time-dependent density functional theory for x-ray absorptions

The Journal of chemical physics, 2022-08, Vol.157 (7), p.074106-074106

2022

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Vacancies boosting strategy enabling enhanced oxygen evolution activity in a library of novel amorphous selenite electrocatalysts

Applied catalysis. B, Environmental, 2021-05, Vol.284, p.119758, Article 119758

2021

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Selenic Acid Etching Assisted Vacancy Engineering for Designing Highly Active Electrocatalysts toward the Oxygen Evolution Reaction

Advanced materials (Weinheim), 2021-04, Vol.33 (14), p.e2007523-n/a

2021

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Ultrathin VSe2 Nanosheets with Fast Ion Diffusion and Robust Structural Stability for Rechargeable Zinc‐Ion Battery Cathode

Small (Weinheim an der Bergstrasse, Germany), 2020-09, Vol.16 (35), p.e2000698-n/a

2020

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Design and synthesis of room temperature stable Li-argyrodite superionic conductors via cation doping

Journal of materials chemistry. A, Materials for energy and sustainability, 2019, Vol.7 (6), p.2717-2722

2019

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Ternary FexCo1-xP Nanowire Array as a Robust Hydrogen Evolution Reaction Electrocatalyst with Pt-like Activity: Experimental and Theoretical Insight

Nano letters, 2016-10, Vol.16 (10), p.6617-6621

2016

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Amorphous Carbon Interconnected Ultrafine CoMnP with Enhanced Co Electron Delocalization Yields Pt‐Like Activity for Alkaline Water Electrolysis

Advanced functional materials, 2022-05, Vol.32 (21), p.n/a

2022

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Designing heterostructured FeP—CoP for oxygen evolution reaction: Interface engineering to enhance electrocatalytic performance

Nano research, 2023-05, Vol.16 (5), p.6601-6607

2023

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Effective Hydrogenation Strategies to Boost Efficiency over 20% for Crystalline Silicon Solar Cell with Al2O3/Cu2O Passivating Contact

Advanced functional materials, 2022-10, Vol.32 (43), p.n/a

2022

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Tailoring Oxygen Reduction Reaction Kinetics of Fe−N−C Catalyst via Spin Manipulation for Efficient Zinc–Air Batteries

Advanced materials (Weinheim), 2024-06, Vol.36 (25), p.e2400523-n/a

2024

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A Li+ and PANI co-intercalation strategy for hydrated V2O5 to enhance zinc ion storage performance

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-09, Vol.10 (36), p.18962-18971

2022

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Raman spectrum and polarizability of liquid water from deep neural networks

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

Isotope effects in liquid water via deep potential molecular dynamics

A deep potential model with long-range electrostatic interactions

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

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

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

Modeling Liquid Water by Climbing up Jacob’s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials

Self-adaptive real-time time-dependent density functional theory for x-ray absorptions

Vacancies boosting strategy enabling enhanced oxygen evolution activity in a library of novel amorphous selenite electrocatalysts

Selenic Acid Etching Assisted Vacancy Engineering for Designing Highly Active Electrocatalysts toward the Oxygen Evolution Reaction

Ultrathin VSe2 Nanosheets with Fast Ion Diffusion and Robust Structural Stability for Rechargeable Zinc‐Ion Battery Cathode

Design and synthesis of room temperature stable Li-argyrodite superionic conductors via cation doping

Ternary FexCo1-xP Nanowire Array as a Robust Hydrogen Evolution Reaction Electrocatalyst with Pt-like Activity: Experimental and Theoretical Insight

Amorphous Carbon Interconnected Ultrafine CoMnP with Enhanced Co Electron Delocalization Yields Pt‐Like Activity for Alkaline Water Electrolysis

Designing heterostructured FeP—CoP for oxygen evolution reaction: Interface engineering to enhance electrocatalytic performance

Effective Hydrogenation Strategies to Boost Efficiency over 20% for Crystalline Silicon Solar Cell with Al2O3/Cu2O Passivating Contact

Tailoring Oxygen Reduction Reaction Kinetics of Fe−N−C Catalyst via Spin Manipulation for Efficient Zinc–Air Batteries

A Li+ and PANI co-intercalation strategy for hydrated V2O5 to enhance zinc ion storage performance

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