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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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Applications and training sets of machine learning potentials

Science and technology of advanced materials. Methods, 2023-12, Vol.3 (1)

2023

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Predicting melting temperature of inorganic crystals via crystal graph neural network enhanced by transfer learning

Computational materials science, 2024-02, Vol.234, p.112783, Article 112783

2024

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Disorder-Dependent Li Diffusion in Li6PS5Cl Investigated by Machine-Learning Potential

ACS applied materials & interfaces, 2024-09, Vol.16 (35), p.46442-46453

2024

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Atomistic kinetic Monte Carlo simulation on atomic layer deposition of TiN thin film

Computational materials science, 2022-10, Vol.213, p.111620, Article 111620

2022

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AMP2: A fully automated program for ab initio calculations of crystalline materials

Computer physics communications, 2020-11, Vol.256, p.107450, Article 107450

2020

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Revolutionizing CO2 capture: Molecular complexes of deep eutectic solvents with enhanced hydrogen bond accepting interaction for superior absorption performance

Journal of environmental chemical engineering, 2023-06, Vol.11 (3), p.110108, Article 110108

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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Training machine-learning potentials for crystal structure prediction using disordered structures

Physical review. B, 2020-12, Vol.102 (22), p.1, Article 224104

2020

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Foundations for Systematic Evaluation and Benchmarking of a Mobile Food Logger in a Large-scale Nutrition Study

Proceedings of ACM on interactive, mobile, wearable and ubiquitous technologies, 2020-06, Vol.4 (2), p.1-25

2020

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Exer-model: A User Model for Scrutinising Long-term Models of Physical Activity from Multiple Sensors

Adjunct Publication of the 27th Conference on User Modeling, Adaptation and Personalization, 2019, p.99-104

2019

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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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Spin-wave propagation in the presence of interfacial Dzyaloshinskii-Moriya interaction

Physical review. B, Condensed matter and materials physics, 2013-11, Vol.88 (18), Article 184404

2013

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Effect of steam activation of biochar produced from a giant Miscanthus on copper sorption and toxicity

Bioresource technology, 2015-12, Vol.197, p.85-90

2015

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Optimal configuration of a tidal current turbine farm in a shallow channel

Ocean engineering, 2021-01, Vol.220, p.108395, Article 108395

2021

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Identification of oxidative stress and estrogenic activity induced by polarity fractions of effluent organic matter

Journal of hazardous materials, 2019-08, Vol.375, p.264-272

2019

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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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The "Art of Trellis Decoding" Is Fixed-Parameter Tractable

IEEE transactions on information theory, 2017-11, Vol.63 (11), p.7178-7205

2017

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High-Resolution Colloidal Quantum Dot Film Photolithography via Atomic Layer Deposition of ZnO

ACS applied materials & interfaces, 2021-09, Vol.13 (36), p.43075-43084

2021

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Three-Way Junction-Induced Isothermal Amplification with High Signal-to-Background Ratio for Detection of Pathogenic Bacteria

Sensors (Basel, Switzerland), 2021-06, Vol.21 (12), p.4132

2021

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A Magnetic Tunnel Junction Based Zero Standby Leakage Current Retention Flip-Flop

IEEE transactions on very large scale integration (VLSI) systems, 2012-11, Vol.20 (11), p.2044-2053

2012

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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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Seasonal variations in stable nitrate isotopes combined with stable water isotopes in a wastewater treatment plant: Implications for nitrogen sources and transformation

Journal of hydrology (Amsterdam), 2021-08, Vol.599, p.126488, Article 126488

2021

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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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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

Applications and training sets of machine learning potentials

Predicting melting temperature of inorganic crystals via crystal graph neural network enhanced by transfer learning

Disorder-Dependent Li Diffusion in Li6PS5Cl Investigated by Machine-Learning Potential

Atomistic kinetic Monte Carlo simulation on atomic layer deposition of TiN thin film

AMP2: A fully automated program for ab initio calculations of crystalline materials

Revolutionizing CO2 capture: Molecular complexes of deep eutectic solvents with enhanced hydrogen bond accepting interaction for superior absorption performance

Solution-Processed Cu2S Nanostructures for Solar Hydrogen Production

Training machine-learning potentials for crystal structure prediction using disordered structures

Foundations for Systematic Evaluation and Benchmarking of a Mobile Food Logger in a Large-scale Nutrition Study

Exer-model: A User Model for Scrutinising Long-term Models of Physical Activity from Multiple Sensors

Controlled Assembly of Plasmonic Nanoparticles: From Static to Dynamic Nanostructures

Spin-wave propagation in the presence of interfacial Dzyaloshinskii-Moriya interaction

Effect of steam activation of biochar produced from a giant Miscanthus on copper sorption and toxicity

Optimal configuration of a tidal current turbine farm in a shallow channel

Identification of oxidative stress and estrogenic activity induced by polarity fractions of effluent organic matter

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

The "Art of Trellis Decoding" Is Fixed-Parameter Tractable

High-Resolution Colloidal Quantum Dot Film Photolithography via Atomic Layer Deposition of ZnO

Three-Way Junction-Induced Isothermal Amplification with High Signal-to-Background Ratio for Detection of Pathogenic Bacteria

A Magnetic Tunnel Junction Based Zero Standby Leakage Current Retention Flip-Flop

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

Seasonal variations in stable nitrate isotopes combined with stable water isotopes in a wastewater treatment plant: Implications for nitrogen sources and transformation

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

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