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Factors controlling oxygen migration barriers in perovskites

Solid state ionics, 2016-11, Vol.296 (C), p.71-77

2016

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Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells

Advanced energy materials, 2018-04, Vol.8 (11), p.n/a

2018

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Strain effects on oxygen vacancy formation energy in perovskites

Solid state ionics, 2017-11, Vol.311 (C), p.105-117

2017

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Strain effects on oxygen migration in perovskites

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (4), p.2715-2721

2015

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High-throughput ab-initio dilute solute diffusion database

Scientific data, 2016-07, Vol.3 (1), p.160054-160054, Article 160054

2016

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Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures

New journal of physics, 2014-01, Vol.16 (1), p.15018-21

2014

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Correction: Strain effects on oxygen migration in perovskites

Physical chemistry chemical physics : PCCP, 2016-03, Vol.18 (1), p.7535-7536

2016

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The Materials Simulation Toolkit for Machine learning (MAST-ML): An automated open source toolkit to accelerate data-driven materials research

Computational materials science, 2020-04, Vol.176, p.109544, Article 109544

2020

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Strain effects on oxygen migration in perovskitesElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05554c

2014-12

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The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion

Computational materials science, 2017-01, Vol.126, p.90-102

2017

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Machine learning predictions of irradiation embrittlement in reactor pressure vessel steels

npj computational materials, 2022-04, Vol.8 (1), p.1-11, Article 85

2022

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StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies

Computational materials science, 2019-04, Vol.160, p.1-8

2019

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Machine learning predictions of irradiation embrittlement in reactor pressure vessel steels

npj computational materials, 2022-04, Vol.8 (1)

2022

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Using High-Throughput Computation to Explore Oxygen-Ion Conducting Perovskites

Mayeshiba, Tam Thien

2017

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(Invited) Ab Initio Studies of Strain Effects on Perovskite Oxygen Vacancy Formation and Migration Energetics

Meeting abstracts (Electrochemical Society), 2016-04, Vol.MA2016-01 (30), p.1489-1489

2016

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Work in progress - engineering case studies inspired by society's Grand Challenges for Engineering: An integrated approach to middle school stem instruction

2012 Frontiers in Education Conference Proceedings, 2012, p.1-2

2012

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(Invited) Descriptors, Defects, and DFT for Solid Oxide Fuel Cell Materials

Meeting abstracts (Electrochemical Society), 2017-04, Vol.MA2017-01 (33), p.1583-1583

2017

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Factors controlling oxygen migration barriers in perovskites

Material Discovery and Design Principles for Stable, High Activity Perovskite Cathodes for Solid Oxide Fuel Cells

Strain effects on oxygen vacancy formation energy in perovskites

Strain effects on oxygen migration in perovskites

High-throughput ab-initio dilute solute diffusion database

Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures

Correction: Strain effects on oxygen migration in perovskites

The Materials Simulation Toolkit for Machine learning (MAST-ML): An automated open source toolkit to accelerate data-driven materials research

Strain effects on oxygen migration in perovskitesElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05554c

The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion

Machine learning predictions of irradiation embrittlement in reactor pressure vessel steels

StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies

Machine learning predictions of irradiation embrittlement in reactor pressure vessel steels

Using High-Throughput Computation to Explore Oxygen-Ion Conducting Perovskites

(Invited) Ab Initio Studies of Strain Effects on Perovskite Oxygen Vacancy Formation and Migration Energetics

Work in progress - engineering case studies inspired by society's Grand Challenges for Engineering: An integrated approach to middle school stem instruction

(Invited) Descriptors, Defects, and DFT for Solid Oxide Fuel Cell Materials

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