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Journal Articles

Data-driven materials research enabled by natural language processing and information extraction

Elsa A. Olivetti, Jacqueline M. Cole, Edward Kim, Olga Kononova, Gerbrand Ceder, Thomas Yong-Jin Han, Anna M. Hiszpanski

Appl. Phys. Rev. 7, 041317 (2020)

https://doi.org/10.1063/5.0021106

Published: December 2020

View article titled, Data-driven materials research enabled by natural language processing and information extraction

Journal Articles

Constructing first-principles phase diagrams of amorphous Li_xSi using machine-learning-assisted sampling with an evolutionary algorithm

Nongnuch Artrith, Alexander Urban, Gerbrand Ceder

J. Chem. Phys. 148, 241711 (2018)

https://doi.org/10.1063/1.5017661

Published: March 2018

View article titled, Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm

Journal Articles

An efficient algorithm for finding the minimum energy path for cation migration in ionic materials

Ziqin Rong, Daniil Kitchaev, Pieremanuele Canepa, Wenxuan Huang, Gerbrand Ceder

J. Chem. Phys. 145, 074112 (2016)

https://doi.org/10.1063/1.4960790

Published: August 2016

View article titled, An efficient algorithm for finding the minimum energy path for cation migration in ionic materials

Includes: Supplementary data

Journal Articles

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

J. Chem. Phys. 144, 144201 (2016)

https://doi.org/10.1063/1.4945561

Published: April 2016

View article titled, Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

Includes: Supplementary data

Journal Articles

Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

Anubhav Jain, Kristin A. Persson, Gerbrand Ceder

APL Mater. 4, 053102 (2016)

https://doi.org/10.1063/1.4944683

Published: March 2016

View article titled, Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

Journal Articles

Band structure engineering through orbital interaction for enhanced thermoelectric power factor

Hong Zhu, Wenhao Sun, Rickard Armiento, Predrag Lazic, Gerbrand Ceder

Appl. Phys. Lett. 104, 082107 (2014)

https://doi.org/10.1063/1.4866861

Published: February 2014

View article titled, Band structure engineering through orbital interaction for enhanced thermoelectric power factor

Includes: Supplementary data

Journal Articles

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A. Persson

APL Mater. 1, 011002 (2013)

https://doi.org/10.1063/1.4812323

Published: July 2013

View article titled, Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

Journal Articles

An investigation of the sodium patterning in Na x Co O 2 ( 0.5 ⩽ x ⩽ 1 ) by density functional theory methods

Ying S. Meng, Yoyo Hinuma, Gerbrand Ceder

J. Chem. Phys. 128, 104708 (2008)

https://doi.org/10.1063/1.2839292

Published: March 2008

View article titled, An investigation of the sodium patterning in Na x Co O 2 ( 0.5 ⩽ x ⩽ 1 ) by density functional theory methods

Journal Articles

Ab initio investigation of ammonia-borane complexes for hydrogen storage

Caetano R. Miranda, Gerbrand Ceder

J. Chem. Phys. 126, 184703 (2007)

https://doi.org/10.1063/1.2730785

Published: May 2007

View article titled, Ab initio investigation of ammonia-borane complexes for hydrogen storage

Journal Articles

Electrochemically controlled transport of lithium through ultrathin Si O 2

Nava Ariel, Gerbrand Ceder, Donald R. Sadoway, Eugene A. Fitzgerald

J. Appl. Phys. 98, 023516 (2005)

https://doi.org/10.1063/1.1989431

Published: July 2005

View article titled, Electrochemically controlled transport of lithium through ultrathin Si O 2

Journal Articles

Computational investigation of dielectric absorption at microwave frequencies in binary oxides

Eric J. Wu, Gerbrand Ceder

J. Appl. Phys. 89, 5630–5636 (2001)

https://doi.org/10.1063/1.1360223

Published: May 2001

View article titled, Computational investigation of dielectric absorption at microwave frequencies in binary oxides

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Topics

Data-driven materials research enabled by natural language processing and information extraction

Constructing first-principles phase diagrams of amorphous Li_xSi using machine-learning-assisted sampling with an evolutionary algorithm

An efficient algorithm for finding the minimum energy path for cation migration in ionic materials

Synthesis of a mixed-valent tin nitride and considerations of its possible crystal structures

Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

Band structure engineering through orbital interaction for enhanced thermoelectric power factor

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

An investigation of the sodium patterning in Na x Co O 2 ( 0.5 ⩽ x ⩽ 1 ) by density functional theory methods

Ab initio investigation of ammonia-borane complexes for hydrogen storage

Electrochemically controlled transport of lithium through ultrathin Si O 2

Computational investigation of dielectric absorption at microwave frequencies in binary oxides

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