Machine learning interatomic potential developed for molecular simulations on thermal properties of β-Ga2O3

Thermal transport properties of GaN with biaxial strain and electron-phonon coupling

(2020) Dao-Sheng Tang et al.   JOURNAL OF APPLIED PHYSICS

Thickness-dependent thermal conductivity of mechanically exfoliated β-Ga2O3 thin films

(2020) Yingying Zhang et al.   APPLIED PHYSICS LETTERS

Partitioning of sulfur between solid and liquid iron under Earth’s core conditions: Constraints from atomistic simulations with machine learning potentials

(2020) Zhigang Zhang et al.   GEOCHIMICA ET COSMOCHIMICA ACTA

An accurate and transferable machine learning potential for carbon

(2020) Patrick Rowe et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental study on single-phase hybrid microchannel cooling using HFE-7100 for liquid-cooled chips

(2020) Min Yang et al.   INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER

Thermal conductivity of GaN, GaN71 , and SiC from 150 K to 850 K

(2019) Qiye Zheng et al.   PHYSICAL REVIEW MATERIALS

Equation of State of Fluid Methane from First Principles with Machine Learning Potentials

(2019) Max Veit et al.   Journal of Chemical Theory and Computation

Machine-learning-based interatomic potential for phonon transport in perfect crystalline Si and crystalline Si with vacancies

(2019) Hasan Babaei et al.   Physical Review Materials

Machine Learning Interatomic Potentials as Emerging Tools for Materials Science

(2019) Volker L. Deringer et al.   ADVANCED MATERIALS

Thermal Spreading Resistance in Ballistic-Diffusive Regime for GaN HEMTs

(2019) Yu-Chao Hua et al.   IEEE TRANSACTIONS ON ELECTRON DEVICES

Machine learning for predicting thermodynamic properties of pure fluids and their mixtures

(2019) Yuanbin Liu et al.   ENERGY

Demonstration of high-responsivity epitaxial β-Ga2O3/GaN metal–heterojunction-metal broadband UV-A/UV-C detector

(2018) Anisha Kalra et al.   Applied Physics Express

Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

(2018) Thuong T. Nguyen et al.   JOURNAL OF CHEMICAL PHYSICS

Similarity Between Amorphous and Crystalline Phases: The Case of TiO2

(2018) Juraj Mavračić et al.   Journal of Physical Chemistry Letters

Data-Driven Learning of Total and Local Energies in Elemental Boron

(2018) Volker L. Deringer et al.   PHYSICAL REVIEW LETTERS

Mapping uncharted territory in ice from zeolite networks to ice structures

(2018) Edgar A. Engel et al.   Nature Communications

A review of Ga2O3 materials, processing, and devices

(2018) S. J. Pearton et al.   Applied Physics Reviews

Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

(2018) Daniele Dragoni et al.   PHYSICAL REVIEW MATERIALS

Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential

(2018) Felix C. Mocanu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Three-dimensional anisotropic thermal conductivity tensor of single crystalline β-Ga2O3

(2018) Puqing Jiang et al.   APPLIED PHYSICS LETTERS

Machine Learning a General-Purpose Interatomic Potential for Silicon

(2018) Albert P. Bartók et al.   Physical Review X

Coefficients of thermal expansion of single crystalline β-Ga2O3 and in-plane thermal strain calculations of various materials combinations with β-Ga2O3

(2018) Michael E. Liao et al.   APL Materials

Growth and characterization of β-Ga2O3 thin films by molecular beam epitaxy for deep-UV photodetectors

(2017) Susmita Ghose et al.   JOURNAL OF APPLIED PHYSICS

Machine learning unifies the modeling of materials and molecules

(2017) Albert P. Bartók et al.   Science Advances

Nontrivial contribution of Fröhlich electron-phonon interaction to lattice thermal conductivity of wurtzite GaN

(2016) Jia-Yue Yang et al.   APPLIED PHYSICS LETTERS

Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials

(2016) Alexander V. Shapeev   MULTISCALE MODELING & SIMULATION

Comparing molecules and solids across structural and alchemical space

(2016) Sandip De et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermal expansion coefficients of β-Ga2O3single crystals

(2015) Fabio Orlandi et al.   Applied Physics Express

Anisotropic thermal conductivity in single crystal β-gallium oxide

(2015) Zhi Guo et al.   APPLIED PHYSICS LETTERS

Gaussian approximation potentials: A brief tutorial introduction

(2015) Albert P. Bartók et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials

(2015) A.P. Thompson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

First principles phonon calculations in materials science

(2015) Atsushi Togo et al.   SCRIPTA MATERIALIA

ShengBTE: A solver of the Boltzmann transport equation for phonons

(2014) Wu Li et al.   COMPUTER PHYSICS COMMUNICATIONS

On the bulk β-Ga2O3 single crystals grown by the Czochralski method

(2014) Zbigniew Galazka et al.   JOURNAL OF CRYSTAL GROWTH

Dynamic stabilization of cubicCaSiO3perovskite at high temperatures and pressures fromab initiomolecular dynamics

(2014) Tao Sun et al.   PHYSICAL REVIEW B

Accuracy and transferability of Gaussian approximation potential models for tungsten

(2014) Wojciech J. Szlachta et al.   PHYSICAL REVIEW B

MBE grown Ga2O3 and its power device applications

(2013) Kohei Sasaki et al.   JOURNAL OF CRYSTAL GROWTH

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

Device-Quality $\beta$-Ga$_{2}$O$_{3}$ Epitaxial Films Fabricated by Ozone Molecular Beam Epitaxy

(2012) Kohei Sasaki et al.   Applied Physics Express

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

First-principles phonon calculations of thermal expansion inTi3SiC2,Ti3AlC2, andTi3GeC2

(2010) Atsushi Togo et al.   PHYSICAL REVIEW B

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

(2010) Albert P. Bartók et al.   PHYSICAL REVIEW LETTERS

CUR matrix decompositions for improved data analysis

(2009) Michael W. Mahoney et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA