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Extending the accuracy of the SNAP interatomic potential form

The Journal of chemical physics, 2018-06, Vol.148 (24), p.241721-241721

2018

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Performance and Cost Assessment of Machine Learning Interatomic Potentials

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-01, Vol.124 (4), p.731-745

2020

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Training data selection for accuracy and transferability of interatomic potentials

npj computational materials, 2022-09, Vol.8 (1), p.1-9, Article 189

2022

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Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics

npj computational materials, 2021-09, Vol.7 (1), p.1-12, Article 153

2021

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Bayesian blacksmithing: discovering thermomechanical properties and deformation mechanisms in high-entropy refractory alloys

npj computational materials, 2024-07, Vol.10 (1), p.164-13, Article 164

2024

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A physics-informed operator regression framework for extracting data-driven continuum models

Computer methods in applied mechanics and engineering, 2021-01, Vol.373 (C), p.113500, Article 113500

2021

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Thermodynamically consistent physics-informed neural networks for hyperbolic systems

Journal of computational physics, 2022-01, Vol.449 (C), p.110754, Article 110754

2022

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Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale

Journal of physical chemistry. C, 2015-09, Vol.119 (38), p.22008-22015

2015

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Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability

Journal of applied physics, 2022-03, Vol.131 (11)

2022

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Nonequilibrium Reaction Kinetics in Molecular Solids

Journal of physical chemistry. C, 2016-01, Vol.120 (1), p.542-552

2016

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Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-02, Vol.118 (5), p.885-895

2014

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Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas

Physics of plasmas, 2021-03, Vol.28 (3)

2021

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Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon

The journal of physical chemistry letters, 2024-02, Vol.15 (4), p.1152-1160

2024

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Transferable interatomic potential for aluminum from ambient conditions to warm dense matter

Physical review research, 2023-09, Vol.5 (3), Article 033162

2023

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Factors influencing the prescribing of medications by old age psychiatrists for behavioural and psychological symptoms of dementia: a qualitative study

Age and ageing, 2008-09, Vol.37 (5), p.547-552

2008

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Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability

Journal of applied physics, 2022-03, Vol.131 (11)

2022

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Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales

Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, 2021, p.1-12

2021

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A physics-informed operator regression framework for extracting data-driven continuum models

Computer methods in applied mechanics and engineering, 2020-11, Vol.373

2020

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Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron

Journal of materials science, 2022-06, Vol.57 (23), p.10535-10548

2022

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Beryllium-driven structural evolution at the divertor surface

Nuclear fusion, 2021-04, Vol.61 (4), p.46049

2021

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Machine learning interatomic potential for simulations of carbon at extreme conditions

Physical review. B, 2022-11, Vol.106 (18), Article L180101

2022

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Performance and Cost Assessment of Machine Learning Interatomic Potentials

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-10, Vol.124 (4)

2019

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Quantum accurate SNAP carbon potential for MD shock simulations

AIP Conference Proceedings, 2020, Vol.2272 (1)

2020

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Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-05

2020

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Quantum-accurate magneto-elastic predictions with classical spin-lattice dynamics

npj computational materials, 2022, Vol.7

2022

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Extending the accuracy of the SNAP interatomic potential form

Performance and Cost Assessment of Machine Learning Interatomic Potentials

Training data selection for accuracy and transferability of interatomic potentials

Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics

Bayesian blacksmithing: discovering thermomechanical properties and deformation mechanisms in high-entropy refractory alloys

A physics-informed operator regression framework for extracting data-driven continuum models

Thermodynamically consistent physics-informed neural networks for hyperbolic systems

Ultrafast Chemistry under Nonequilibrium Conditions and the Shock to Deflagration Transition at the Nanoscale

Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability

Nonequilibrium Reaction Kinetics in Molecular Solids

Coupled Thermal and Electromagnetic Induced Decomposition in the Molecular Explosive αHMX; A Reactive Molecular Dynamics Study

Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas

Extreme Metastability of Diamond and its Transformation to the BC8 Post-Diamond Phase of Carbon

Transferable interatomic potential for aluminum from ambient conditions to warm dense matter

Factors influencing the prescribing of medications by old age psychiatrists for behavioural and psychological symptoms of dementia: a qualitative study

Elucidating size effects on the yield strength of single-crystal Cu via the Richtmyer–Meshkov instability

Billion atom molecular dynamics simulations of carbon at extreme conditions and experimental time and length scales

A physics-informed operator regression framework for extracting data-driven continuum models

Dissociating the phononic, magnetic and electronic contributions to thermal conductivity: a computational study in alpha-iron

Beryllium-driven structural evolution at the divertor surface

Machine learning interatomic potential for simulations of carbon at extreme conditions

Performance and Cost Assessment of Machine Learning Interatomic Potentials

Quantum accurate SNAP carbon potential for MD shock simulations

Explicit Multi-element Extension of the Spectral Neighbor Analysis Potential for Chemically Complex Systems

Quantum-accurate magneto-elastic predictions with classical spin-lattice dynamics

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