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Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems

Machine learning: science and technology, 2022-06, Vol.3 (2), p.25007

2022

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Harnessing mechanical instabilities at the nanoscale to achieve ultra-low stiffness metals

Nature communications, 2017-10, Vol.8 (1), p.1137-7, Article 1137

2017

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Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

Journal of computational physics, 2017-04, Vol.334 (C), p.207-220

2017

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Implementing a neural network interatomic model with performance portability for emerging exascale architectures

Computer physics communications, 2022-01, Vol.270, p.108156, Article 108156

2022

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Functional uncertainty quantification for isobaric molecular dynamics simulations and defect formation energies

Modelling and simulation in materials science and engineering, 2019-06, Vol.27 (4), p.44002

2019

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Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

Journal of computational physics, 2017-04, Vol.334

2017

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Implementing a neural network interatomic model with performance portability for emerging exascale architectures

Computer physics communications, 2021-09, Vol.270

2021

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ExaCA: A performance portable exascale cellular automata application for alloy solidification modeling

Computational materials science, 2022-11, Vol.214, p.111692, Article 111692

2022

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A Sparse Distributed Gigascale Resolution Material Point Method

ACM transactions on graphics, 2023-01, Vol.42 (2), p.1-21, Article 22

2023

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Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

Journal of applied physics, 2020-03, Vol.127 (12)

2020

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Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields

Journal of applied physics, 2020-01, Vol.127 (4)

2020

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Multiferroic ground states in free standing perovskite-based nanodots: a density functional theory study

Modelling and simulation in materials science and engineering, 2021-07, Vol.29 (5), p.55002

2021

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Orientation Relationships of Pure Tin on Single Crystal Germanium Substrates

Journal of electronic materials, 2019-10, Vol.49 (1)

2019

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Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields

Journal of applied physics, 2020-01, Vol.127 (4)

2020

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Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

Journal of applied physics, 2020-03, Vol.127 (12)

2020

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Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures

Acta materialia, 2018-08, Vol.154 (C), p.295-302

2018

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Role of electronic thermal transport in amorphous metal recrystallization: A molecular dynamics study

The Journal of chemical physics, 2018-08, Vol.149 (6), p.064502-064502

2018

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Correction: PDMATLAB2D: A Peridynamics MATLAB Two-dimensional Code

Journal of peridynamics and nonlocal modeling (Online), 2024-09, Vol.6 (3), p.530-530

2024

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Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures

Acta materialia, 2018-08, Vol.154 (C)

2018

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PDMATLAB2D: A Peridynamics MATLAB Two-dimensional Code

Journal of peridynamics and nonlocal modeling (Online), 2024-03, Vol.6 (1), p.149-205

2024

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ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure

The international journal of high performance computing applications, 2022-01, Vol.36 (1), p.13-39

2022

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Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems

Machine learning: science and technology, 2022-05, Vol.3 (2)

2022

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Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems This manuscript has been authored in part by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscri

Machine learning: science and technology, 2022-05, Vol.3 (2)

2022

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Co-design for Particle Applications at Exascale

Computing in science & engineering, 2024, p.1-10

2024

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Enabling particle applications for exascale computing platforms

The international journal of high performance computing applications, 2021-11, Vol.35 (6), p.572-597

2021

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Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems

Harnessing mechanical instabilities at the nanoscale to achieve ultra-low stiffness metals

Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

Implementing a neural network interatomic model with performance portability for emerging exascale architectures

Functional uncertainty quantification for isobaric molecular dynamics simulations and defect formation energies

Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

Implementing a neural network interatomic model with performance portability for emerging exascale architectures

ExaCA: A performance portable exascale cellular automata application for alloy solidification modeling

A Sparse Distributed Gigascale Resolution Material Point Method

Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields

Multiferroic ground states in free standing perovskite-based nanodots: a density functional theory study

Orientation Relationships of Pure Tin on Single Crystal Germanium Substrates

Uncharacteristic second order martensitic transformation in metals via epitaxial stress fields

Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures

Role of electronic thermal transport in amorphous metal recrystallization: A molecular dynamics study

Correction: PDMATLAB2D: A Peridynamics MATLAB Two-dimensional Code

Tunability of martensitic behavior through coherent nanoprecipitates and other nanostructures

PDMATLAB2D: A Peridynamics MATLAB Two-dimensional Code

ExaAM: Metal additive manufacturing simulation at the fidelity of the microstructure

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems

Co-design for Particle Applications at Exascale

Enabling particle applications for exascale computing platforms

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