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A valence balanced rule for discovery of 18-electron half-Heuslers with defects

Energy & environmental science, 2018-01, Vol.11 (6), p.1480-1488

2018

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High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications

Chemistry of materials, 2016-08, Vol.28 (16), p.5621-5634

2016

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Designing and Discovering a New Family of Semiconducting Quaternary Heusler Compounds Based on the 18-Electron Rule

Chemistry of materials, 2018-08, Vol.30 (15), p.4978-4985

2018

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Ultralow Thermal Conductivity in Full Heusler Semiconductors

Physical review letters, 2016-07, Vol.117 (4), p.046602-046602, Article 046602

2016

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High-Throughput Study of Lattice Thermal Conductivity in Binary Rocksalt and Zinc Blende Compounds Including Higher-Order Anharmonicity

Physical review. X, 2020-11, Vol.10 (4), p.041029, Article 041029

2020

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Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

Physical review. B, 2017-07, Vol.96 (2), Article 024104

2017

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Discovery of Calcium‐Metal Alloy Anodes for Reversible Ca‐Ion Batteries

Advanced energy materials, 2019-03, Vol.9 (9), p.n/a

2019

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High-throughput computational design of cathode coatings for Li-ion batteries

Nature communications, 2016-12, Vol.7 (1), p.13779-13779, Article 13779

2016

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Network analysis of synthesizable materials discovery

Nature communications, 2019-05, Vol.10 (1), p.2018-2018, Article 2018

2019

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Computational investigation of half-Heusler compounds for spintronics applications

Physical review. B, 2017-01, Vol.95 (2), p.024411, Article 024411

2017

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Material design of high-capacity Li-rich layered-oxide electrodes: Li2MnO3 and beyond

Energy & environmental science, 2017-01, Vol.10 (10)

2017

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Exploring the High-Pressure Materials Genome

Physical review. X, 2018-11, Vol.8 (4), p.041021, Article 041021

2018

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Diffusion coefficients of transition metals in fcc cobalt

Acta materialia, 2017-06, Vol.132 (C), p.467-478

2017

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Phase Stability and Ordering in Rock Salt-Based Thermoelectrics: NaSbX2, AgSbX2, and Their Alloys with PbX and SnX (X = S, Se, Te)

Chemistry of materials, 2019-11, Vol.31 (22), p.9445-9452

2019

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High-throughput computational search for strengthening precipitates in alloys

Acta materialia, 2016-01, Vol.102 (C), p.125-135

2016

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High-Throughput Computational Discovery of Ternary Mixed-Anion Oxypnictides

Chemistry of materials, 2021-12, Vol.33 (24), p.9486-9500

2021

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Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = Metals; X = S, Se, and Te) and Their Potential Applications

Chemistry of materials, 2020-10, Vol.32 (19), p.8229-8242

2020

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Computational Discovery of Li–M–O Ion Exchange Materials for Lithium Extraction from Brines

Chemistry of materials, 2018-10, Vol.30 (20), p.6961-6968

2018

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Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

Physical review. B, 2016-03, Vol.93 (10), Article 104424

2016

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Interplay of cation and anion redox in Li4Mn2O5 cathode material and prediction of improved Li4(Mn,M)2O5 electrodes for Li-ion batteries

Science advances, 2018-05, Vol.4 (5), p.eaao6754-eaao6754

2018

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The phase stability network of all inorganic materials

Science advances, 2020-02, Vol.6 (9), p.eaay5606-eaay5606

2020

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First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry

ACS applied materials & interfaces, 2018-04, Vol.10 (16), p.13479-13490

2018

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A multiobjective closed-loop approach towards autonomous discovery of electrocatalysts for nitrogen reduction

Digital discovery, 2024-05, Vol.3 (5), p.999-11

2024

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Synthesis, Characterization, Photocatalysis, and Varied Properties of TiO2 Cosubstituted with Nitrogen and Fluorine

Inorganic chemistry, 2013-09, Vol.52 (18), p.10512-10519

2013

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Synthesis and characterization of Co-Ti-Sn alloys: Co1.5TiSn as half-metal based on the Fe1.5TiSb layered Heusler prototype

Journal of alloys and compounds, 2022-11, Vol.924, p.166501, Article 166501

2022

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A valence balanced rule for discovery of 18-electron half-Heuslers with defects

High-Throughput Computational Screening of Perovskites for Thermochemical Water Splitting Applications

Designing and Discovering a New Family of Semiconducting Quaternary Heusler Compounds Based on the 18-Electron Rule

Ultralow Thermal Conductivity in Full Heusler Semiconductors

High-Throughput Study of Lattice Thermal Conductivity in Binary Rocksalt and Zinc Blende Compounds Including Higher-Order Anharmonicity

Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

Discovery of Calcium‐Metal Alloy Anodes for Reversible Ca‐Ion Batteries

High-throughput computational design of cathode coatings for Li-ion batteries

Network analysis of synthesizable materials discovery

Computational investigation of half-Heusler compounds for spintronics applications

Material design of high-capacity Li-rich layered-oxide electrodes: Li2MnO3 and beyond

Exploring the High-Pressure Materials Genome

Diffusion coefficients of transition metals in fcc cobalt

Phase Stability and Ordering in Rock Salt-Based Thermoelectrics: NaSbX2, AgSbX2, and Their Alloys with PbX and SnX (X = S, Se, Te)

High-throughput computational search for strengthening precipitates in alloys

High-Throughput Computational Discovery of Ternary Mixed-Anion Oxypnictides

Computational Discovery of Stable Heteroanionic Oxychalcogenides ABXO (A, B = Metals; X = S, Se, and Te) and Their Potential Applications

Computational Discovery of Li–M–O Ion Exchange Materials for Lithium Extraction from Brines

Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

Interplay of cation and anion redox in Li4Mn2O5 cathode material and prediction of improved Li4(Mn,M)2O5 electrodes for Li-ion batteries

The phase stability network of all inorganic materials

First-Principles Study of Lithium Cobalt Spinel Oxides: Correlating Structure and Electrochemistry

A multiobjective closed-loop approach towards autonomous discovery of electrocatalysts for nitrogen reduction

Synthesis, Characterization, Photocatalysis, and Varied Properties of TiO2 Cosubstituted with Nitrogen and Fluorine

Synthesis and characterization of Co-Ti-Sn alloys: Co1.5TiSn as half-metal based on the Fe1.5TiSb layered Heusler prototype

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