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SIMPLE-NN: An efficient package for training and executing neural-network interatomic potentials

Computer physics communications, 2019-09, Vol.242, p.95-103

2019

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Thermodynamics of native point defects in α-Fe2O3: an ab initio study

Physical chemistry chemical physics : PCCP, 2013-11, Vol.15 (43), p.1896-18914

2013

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Intrinsic Carrier Mobility of Cesium Lead Halide Perovskites

Physical review applied, 2018-10, Vol.10 (4), Article 044013

2018

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Toward Reliable and Transferable Machine Learning Potentials: Uniform Training by Overcoming Sampling Bias

Journal of physical chemistry. C, 2018-10, Vol.122 (39), p.22790-22795

2018

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Hydrated Manganese(II) Phosphate (Mn3(PO4)2·3H2O) as a Water Oxidation Catalyst

Journal of the American Chemical Society, 2014-05, Vol.136 (20), p.7435-7443

2014

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Crystallization of amorphous GeTe simulated by neural network potential addressing medium-range order

Computational materials science, 2020-08, Vol.181, p.109725, Article 109725

2020

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Atomic structure of conducting nanofilaments in TiO2 resistive switching memory

Nature nanotechnology, 2010-02, Vol.5 (2), p.148

2010

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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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High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics

Scientific reports, 2018-10, Vol.8 (1), p.14794-8, Article 14794

2018

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Wafer-scale transferable molybdenum disulfide thin-film catalysts for photoelectrochemical hydrogen production

Energy & environmental science, 2016-01, Vol.9 (7), p.2240-2248

2016

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Emergence of Negative Capacitance in Multidomain Ferroelectric-Paraelectric Nanocapacitors at Finite Bias

Advanced materials (Weinheim), 2016-01, Vol.28 (2), p.335-340

2016

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Effects of the Heterointerface on the Growth Characteristics of a Brownmillerite SrFeO2.5 Thin Film Grown on SrRuO3 and SrTiO3 Perovskites

Scientific reports, 2020-03, Vol.10 (1), p.3807-3807, Article 3807

2020

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First-principles calculations on effects of Al and Ga dopants on atomic and electronic structures of amorphous Ge2Sb2Te5

Journal of applied physics, 2019-01, Vol.125 (3)

2019

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Atomic Structure and Spectroscopy of Single Metal (Cr, V) Substitutional Dopants in Monolayer MoS2

ACS nano, 2016-11, Vol.10 (11), p.10227-10236

2016

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Light-Induced Peroxide Formation in ZnO: Origin of Persistent Photoconductivity

Scientific reports, 2016-10, Vol.6 (1), p.35148-35148, Article 35148

2016

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N-doped monolayer graphene catalyst on silicon photocathode for hydrogen production

Energy & environmental science, 2013-12, Vol.6 (12), p.3658-3664

2013

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Growth of high-quality semiconducting tellurium films for high-performance p-channel field-effect transistors with wafer-scale uniformity

NPJ 2D materials and applications, 2022-01, Vol.6 (1), p.1-7, Article 4

2022

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A detailed understanding of the electronic bipolar resistance switching behavior in Pt/TiO2/Pt structure

Nanotechnology, 2011-06, Vol.22 (25), p.254010-254010

2011

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Enhanced amorphous stability of carbon-doped Ge2Sb2Te5: Ab Initio investigation

Applied physics letters, 2011-10, Vol.99 (18)

2011

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A band-gap database for semiconducting inorganic materials calculated with hybrid functional

Scientific data, 2020-11, Vol.7 (1), p.387-387, Article 387

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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Investigation of field effects in a solid-state nanopore transistor

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (41), p.27806-27811

2015

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Electrical Manipulation of Nanofilaments in Transition-Metal Oxides for Resistance-Based Memory

Nano letters, 2009-04, Vol.9 (4), p.1476-1481

2009

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Origin of the improved mobility and photo-bias stability in a double-channel metal oxide transistor

Scientific reports, 2014-01, Vol.4 (1), p.3765-3765, Article 3765

2014

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Drastically enhanced hydrogen evolution activity by 2D to 3D structural transition in anion-engineered molybdenum disulfide thin films for efficient Si-based water splitting photocathodes

Journal of materials chemistry. A, Materials for energy and sustainability, 2017, Vol.5 (30), p.15534-15542

2017

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SIMPLE-NN: An efficient package for training and executing neural-network interatomic potentials

Thermodynamics of native point defects in α-Fe2O3: an ab initio study

Intrinsic Carrier Mobility of Cesium Lead Halide Perovskites

Toward Reliable and Transferable Machine Learning Potentials: Uniform Training by Overcoming Sampling Bias

Hydrated Manganese(II) Phosphate (Mn3(PO4)2·3H2O) as a Water Oxidation Catalyst

Crystallization of amorphous GeTe simulated by neural network potential addressing medium-range order

Atomic structure of conducting nanofilaments in TiO2 resistive switching memory

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

High-throughput ab initio calculations on dielectric constant and band gap of non-oxide dielectrics

Wafer-scale transferable molybdenum disulfide thin-film catalysts for photoelectrochemical hydrogen production

Emergence of Negative Capacitance in Multidomain Ferroelectric-Paraelectric Nanocapacitors at Finite Bias

Effects of the Heterointerface on the Growth Characteristics of a Brownmillerite SrFeO2.5 Thin Film Grown on SrRuO3 and SrTiO3 Perovskites

First-principles calculations on effects of Al and Ga dopants on atomic and electronic structures of amorphous Ge2Sb2Te5

Atomic Structure and Spectroscopy of Single Metal (Cr, V) Substitutional Dopants in Monolayer MoS2

Light-Induced Peroxide Formation in ZnO: Origin of Persistent Photoconductivity

N-doped monolayer graphene catalyst on silicon photocathode for hydrogen production

Growth of high-quality semiconducting tellurium films for high-performance p-channel field-effect transistors with wafer-scale uniformity

A detailed understanding of the electronic bipolar resistance switching behavior in Pt/TiO2/Pt structure

Enhanced amorphous stability of carbon-doped Ge2Sb2Te5: Ab Initio investigation

A band-gap database for semiconducting inorganic materials calculated with hybrid functional

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

Investigation of field effects in a solid-state nanopore transistor

Electrical Manipulation of Nanofilaments in Transition-Metal Oxides for Resistance-Based Memory

Origin of the improved mobility and photo-bias stability in a double-channel metal oxide transistor

Drastically enhanced hydrogen evolution activity by 2D to 3D structural transition in anion-engineered molybdenum disulfide thin films for efficient Si-based water splitting photocathodes

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