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Energy-conserving molecular dynamics is not energy conserving

Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (35), p.23467-23476

2023

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Assessing relationships between self-diffusion coefficient and viscosity in Ni-Al alloys based on the pair distribution function

Journal of applied physics, 2019-09, Vol.126 (10)

2019

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Identification of Channel Hot Carrier Stress-Induced Oxide Traps Leading to Random Telegraph Signals in pMOSFETs

IEEE transactions on electron devices, 2021-02, Vol.68 (2), p.713-719

2021

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Effect of Gd and Y contents on the microstructural evolution of long period stacking ordered phase and the corresponding mechanical properties in Mg–Gd–Y–Zn–Mn alloys

Materials science & engineering. A, Structural materials : properties, microstructure and processing, 2014-08, Vol.612, p.363-370

2014

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A Stand-Alone, Physics-Based, Measurement-Driven Model and Simulation Tool for Random Telegraph Signals Originating From Experimentally Identified MOS Gate-Oxide Defects

IEEE transactions on electron devices, 2016-04, Vol.63 (4), p.1428-1436

2016

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Pressure Effects on the Transport and Structural Properties of Metallic Glass-Forming Liquid

Chinese physics letters, 2020-07, Vol.37 (7), p.76201

2020

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Transport coefficients and entropy-scaling law in liquid iron up to Earth-core pressures

The Journal of chemical physics, 2014-03, Vol.140 (11), p.114505-114505

2014

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A Cardiovascular Disease Risk Score Model Based on High Contribution Characteristics

Applied sciences, 2023-01, Vol.13 (2), p.893

2023

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Laser cooling of BeCl and BeBr molecules in an ab initio method

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (4), p.26731-26739

2015

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Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces

Journal of chemical theory and computation, 2023-04, Vol.19 (8), p.2369-2379

2023

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Entropy-scaling laws for diffusion coefficients in liquid metals under high pressures

Journal of applied physics, 2015-04, Vol.117 (13)

2015

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Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models

The journal of physical chemistry letters, 2023-08, Vol.14 (34), p.7732-7743

2023

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Transport Properties and the Entropy-Scaling Law for Liquid Tantalum and Molybdenum under High Pressure

Chinese physics letters, 2014-06, Vol.31 (6), p.150-153

曹启龙黄多辉杨俊升万明杰王藩侯

2014

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Entropy and transport properties of liquid metals along the melting curve

AIP advances, 2017-02, Vol.7 (2), p.025115-025115-7

2017

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Properties of Liquid Nickel along Melting Lines under High Pressure

Chinese physics letters, 2015-08, Vol.32 (8), p.116-119

曹启龙汪盼盼黄多辉杨俊升万明杰王藩侯

2015

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MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows

Journal of chemical theory and computation, 2024-02, Vol.20 (3), p.1193-1213

2024

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A Physical Understanding of RF Noise in Bulk nMOSFETs With Channel Lengths in the Nanometer Regime

IEEE transactions on electron devices, 2012-01, Vol.59 (1), p.197-205

2012

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Pressure-induced magnetic moment collapse and insulator-to-semimetal transition in BiCoO3

Journal of physics. Condensed matter, 2009-07, Vol.21 (29), p.295902

2009

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Effect of Mg and Fe Doping on Optical Absorption of LiNbO3 Crystal through First Principles Calculations

中国物理快报：英文版, 2014-03 (3), p.125-128

HUANG Duo-Hui YANG Jun-Sheng CAO Qi-Long WAN Ming-Jie LI Qiang SUN Liang WANd Fan- Hou

2014

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Low-lying electronic states of LiF molecule with inner electrons correlation

Molecular physics, 2015-06, Vol.113 (11), p.1359-1367

2015

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Molecular dynamics study of dynamic and structural properties of supercooled liquid and glassy iron in the rapid-cooling processes

Physica. B, Condensed matter, 2014-10, Vol.450, p.136-142

2014

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MLatom 2: An Integrative Platform for Atomistic Machine Learning

Topics in current chemistry (2016), 2021-08, Vol.379 (4), p.27-27, Article 27

2021

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Crystallization of polymer chains induced by graphene： Molecular dynamics study

Chinese physics B, 2013-09, Vol.22 (9), p.595-599

杨俊升黄多辉曹启龙李强王立志王藩侯

2013

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Synthesis and mechanism of (101)-preferred orientation rutile titania via anodic spark oxidation

Surface & coatings technology, 2013-08, Vol.228, p.201-208

2013

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Photoluminescence and Raman analysis of ZnO nanowires deposited on Si(1 0 0) via vapor–liquid–solid process

Physica. E, Low-dimensional systems & nanostructures, 2008-02, Vol.40 (4), p.920-923

2008

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Energy-conserving molecular dynamics is not energy conserving

Assessing relationships between self-diffusion coefficient and viscosity in Ni-Al alloys based on the pair distribution function

Identification of Channel Hot Carrier Stress-Induced Oxide Traps Leading to Random Telegraph Signals in pMOSFETs

Effect of Gd and Y contents on the microstructural evolution of long period stacking ordered phase and the corresponding mechanical properties in Mg–Gd–Y–Zn–Mn alloys

A Stand-Alone, Physics-Based, Measurement-Driven Model and Simulation Tool for Random Telegraph Signals Originating From Experimentally Identified MOS Gate-Oxide Defects

Pressure Effects on the Transport and Structural Properties of Metallic Glass-Forming Liquid

Transport coefficients and entropy-scaling law in liquid iron up to Earth-core pressures

A Cardiovascular Disease Risk Score Model Based on High Contribution Characteristics

Laser cooling of BeCl and BeBr molecules in an ab initio method

Explicit Learning of Derivatives with the KREG and pKREG Models on the Example of Accurate Representation of Molecular Potential Energy Surfaces

Entropy-scaling laws for diffusion coefficients in liquid metals under high pressures

Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models

Transport Properties and the Entropy-Scaling Law for Liquid Tantalum and Molybdenum under High Pressure

Entropy and transport properties of liquid metals along the melting curve

Properties of Liquid Nickel along Melting Lines under High Pressure

MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows

A Physical Understanding of RF Noise in Bulk nMOSFETs With Channel Lengths in the Nanometer Regime

Pressure-induced magnetic moment collapse and insulator-to-semimetal transition in BiCoO3

Effect of Mg and Fe Doping on Optical Absorption of LiNbO3 Crystal through First Principles Calculations

Low-lying electronic states of LiF molecule with inner electrons correlation

Molecular dynamics study of dynamic and structural properties of supercooled liquid and glassy iron in the rapid-cooling processes

MLatom 2: An Integrative Platform for Atomistic Machine Learning

Crystallization of polymer chains induced by graphene： Molecular dynamics study

Synthesis and mechanism of (101)-preferred orientation rutile titania via anodic spark oxidation

Photoluminescence and Raman analysis of ZnO nanowires deposited on Si(1 0 0) via vapor–liquid–solid process

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