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Machine Learning a General-Purpose Interatomic Potential for Silicon

Physical review. X, 2018-12, Vol.8 (4), p.041048, Article 041048

2018

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Origins of structural and electronic transitions in disordered silicon

Nature (London), 2021-01, Vol.589 (7840), p.59-64

2021

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Adsorption-induced deformation of nanoporous materials—A review

Applied physics reviews, 2017-03, Vol.4 (1)

2017

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De novo exploration and self-guided learning of potential-energy surfaces

npj computational materials, 2019-10, Vol.5 (1), p.1-9, Article 99

2019

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Quasicubic model for metal halide perovskite nanocrystals

The Journal of chemical physics, 2019-12, Vol.151 (23), p.234106-234106

2019

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Bright triplet excitons in caesium lead halide perovskites

Nature (London), 2018-01, Vol.553 (7687), p.189-193

2018

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Revisiting Bangham's law of adsorption-induced deformation: changes of surface energy and surface stress

Physical chemistry chemical physics : PCCP, 2016-04, Vol.18 (14), p.9788-9798

2016

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Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics

The journal of physical chemistry letters, 2018-06, Vol.9 (11), p.2879-2885

2018

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Machine learning unifies the modeling of materials and molecules

Science advances, 2017-12, Vol.3 (12), p.e1701816-e1701816

2017

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Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon

Angewandte Chemie International Edition, 2019-05, Vol.58 (21), p.7057-7061

International ed. in English, 2019

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Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process Regression

Journal of chemical theory and computation, 2014-09, Vol.10 (9), p.4079-4097

2014

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Machine-learned interatomic potentials for alloys and alloy phase diagrams

npj computational materials, 2021-01, Vol.7 (1), p.1-9, Article 24

2021

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Structure and Stoichiometry in Supervalent Doped Li7La3Zr2O12

Chemistry of materials, 2015-05

2015

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Elastic response of mesoporous silicon to capillary pressures in the pores

Applied physics letters, 2015-06, Vol.106 (26)

2015

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Adsorption-Induced Surface Stresses of the Water/Quartz Interface: Ab Initio Molecular Dynamics Study

Langmuir, 2016-05, Vol.32 (21), p.5259-5266

2016

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Effect of Anisotropic Confinement on Electronic Structure and Dynamics of Band Edge Excitons in Inorganic Perovskite Nanowires

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-03, Vol.124 (9), p.1867-1876

2020

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Adsorption-Induced Deformation of Hierarchically Structured Mesoporous SilicaEffect of Pore-Level Anisotropy

Langmuir, 2017-06, Vol.33 (22), p.5592-5602

2017

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A universal preconditioner for simulating condensed phase materials

The Journal of chemical physics, 2016-04, Vol.144 (16), p.164109-164109

2016

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Relation between pore size and the compressibility of a confined fluid

The Journal of chemical physics, 2015-11, Vol.143 (19), p.194506-194506

2015

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Nanoscale stacking fault-assisted room temperature plasticity in flash-sintered TiO2

Science advances, 2019-09, Vol.5 (9), p.eaaw5519-eaaw5519

2019

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High-performance nanomaterials formed by rigid yet extensible cyclic β-peptide polymers

Nature communications, 2018-10, Vol.9 (1), p.4090-8, Article 4090

2018

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Concurrent coupling of length scales: Methodology and application

Physical review. B, Condensed matter, 1999-07, Vol.60 (4), p.2391-2403

1999

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Surface and Interface Energies of Complex Crystal Structure Aluminum Magnesium Alloys

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2012-06, Vol.43 (6), p.2166-2176

2012

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Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression

Journal of chemical theory and computation, 2016-10, Vol.12 (10), p.5100-5110

2016

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Gaussian Process Regression for Materials and Molecules

Chemical reviews, 2021-08, Vol.121 (16), p.10073-10141

2021

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Machine Learning a General-Purpose Interatomic Potential for Silicon

Origins of structural and electronic transitions in disordered silicon

Adsorption-induced deformation of nanoporous materials—A review

De novo exploration and self-guided learning of potential-energy surfaces

Quasicubic model for metal halide perovskite nanocrystals

Bright triplet excitons in caesium lead halide perovskites

Revisiting Bangham's law of adsorption-induced deformation: changes of surface energy and surface stress

Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics

Machine learning unifies the modeling of materials and molecules

Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon

Free Energy Surface Reconstruction from Umbrella Samples Using Gaussian Process Regression

Machine-learned interatomic potentials for alloys and alloy phase diagrams

Structure and Stoichiometry in Supervalent Doped Li7La3Zr2O12

Elastic response of mesoporous silicon to capillary pressures in the pores

Adsorption-Induced Surface Stresses of the Water/Quartz Interface: Ab Initio Molecular Dynamics Study

Effect of Anisotropic Confinement on Electronic Structure and Dynamics of Band Edge Excitons in Inorganic Perovskite Nanowires

Adsorption-Induced Deformation of Hierarchically Structured Mesoporous SilicaEffect of Pore-Level Anisotropy

A universal preconditioner for simulating condensed phase materials

Relation between pore size and the compressibility of a confined fluid

Nanoscale stacking fault-assisted room temperature plasticity in flash-sintered TiO2

High-performance nanomaterials formed by rigid yet extensible cyclic β-peptide polymers

Concurrent coupling of length scales: Methodology and application

Surface and Interface Energies of Complex Crystal Structure Aluminum Magnesium Alloys

Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression

Gaussian Process Regression for Materials and Molecules

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