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Low thermal conductivity and triaxial phononic anisotropy of SnSe

Applied physics letters, 2014-09, Vol.105 (10)

2014

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High-entropy ceramics

Nature reviews. Materials, 2020-04, Vol.5 (4), p.295-309

2020

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High-throughput electronic band structure calculations: Challenges and tools

Computational materials science, 2010-08, Vol.49 (2), p.299-312

2010

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Entropy-stabilized oxides

Nature communications, 2015-09, Vol.6 (1), p.8485-8485, Article 8485

2015

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The search for high entropy alloys: A high-throughput ab-initio approach

Acta materialia, 2018-10, Vol.159, p.364-383

2018

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Universal fragment descriptors for predicting properties of inorganic crystals

Nature communications, 2017-06, Vol.8 (1), p.15679-12, Article 15679

2017

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On-the-fly closed-loop materials discovery via Bayesian active learning

Nature communications, 2020-11, Vol.11 (1), p.5966-5966, Article 5966

2020

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Machine learning for alloys

Nature reviews. Materials, 2021-08, Vol.6 (8), p.730-755

2021

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XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction

Computer physics communications, 2019-04, Vol.237, p.274-275

2019

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High-entropy high-hardness metal carbides discovered by entropy descriptors

Nature communications, 2018-11, Vol.9 (1), p.4980-10, Article 4980

2018

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All The Catalytic Active Sites of MoS2 for Hydrogen Evolution

Journal of the American Chemical Society, 2016-12, Vol.138 (51), p.16632-16638

2016

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How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

Chemistry of materials, 2017-08, Vol.29 (15), p.6220-6227

2017

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Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study

Advanced functional materials, 2014-12, Vol.24 (47), p.7427-7432

2014

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Phase stability and mechanical properties of novel high entropy transition metal carbides

Acta materialia, 2019-03, Vol.166 (C), p.271-280

2019

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The high-throughput highway to computational materials design

Nature materials, 2013-03, Vol.12 (3), p.191-201

2013

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Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

Physical review. X, 2014-02, Vol.4 (1), p.011019, Article 011019

2014

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Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

Nature materials, 2015-12, Vol.14 (12), p.1223-1228

2015

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Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints

Chemistry of materials, 2015-02, Vol.27 (3), p.735-743

2015

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The AFLOW Library of Crystallographic Prototypes: Part 1

Computational materials science, 2017-08, Vol.136, p.S1-S828

2017

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High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

Physical review. B, Condensed matter and materials physics, 2014-11, Vol.90 (17), Article 174107

2014

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Discovery of high-entropy ceramics via machine learning

npj computational materials, 2020-05, Vol.6 (1), Article 42

2020

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Settling the matter of the role of vibrations in the stability of high-entropy carbides

Nature communications, 2021-09, Vol.12 (1), p.5747-5747, Article 5747

2021

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Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

Physical review. X, 2015, Vol.5 (1), p.011006, Article 011006

2015

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AFLOW for Alloys

Journal of phase equilibria and diffusion, 2024, Vol.45 (3), p.219-227

2024

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Machine learning modeling of superconducting critical temperature

npj computational materials, 2018-06, Vol.4 (1), p.1-14, Article 29

2018

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Low thermal conductivity and triaxial phononic anisotropy of SnSe

High-entropy ceramics

High-throughput electronic band structure calculations: Challenges and tools

Entropy-stabilized oxides

The search for high entropy alloys: A high-throughput ab-initio approach

Universal fragment descriptors for predicting properties of inorganic crystals

On-the-fly closed-loop materials discovery via Bayesian active learning

Machine learning for alloys

XtalOpt Version r12: An open-source evolutionary algorithm for crystal structure prediction

High-entropy high-hardness metal carbides discovered by entropy descriptors

All The Catalytic Active Sites of MoS2 for Hydrogen Evolution

How Chemical Composition Alone Can Predict Vibrational Free Energies and Entropies of Solids

Nanograined Half-Heusler Semiconductors as Advanced Thermoelectrics: An Ab Initio High-Throughput Statistical Study

Phase stability and mechanical properties of novel high entropy transition metal carbides

The high-throughput highway to computational materials design

Finding Unprecedentedly Low-Thermal-Conductivity Half-Heusler Semiconductors via High-Throughput Materials Modeling

Convergence of multi-valley bands as the electronic origin of high thermoelectric performance in CoSb3 skutterudites

Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints

The AFLOW Library of Crystallographic Prototypes: Part 1

High-throughput computational screening of thermal conductivity, Debye temperature, and Grüneisen parameter using a quasiharmonic Debye model

Discovery of high-entropy ceramics via machine learning

Settling the matter of the role of vibrations in the stability of high-entropy carbides

Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

AFLOW for Alloys

Machine learning modeling of superconducting critical temperature

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