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Materials Science

Review

Machine learning in materials research: developments over the last decade and challenges for the future

Anubhav Jain

Version 1 posted 26 February 2024

1,084

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2

Citations

Analytical Chemistry

Working Paper

Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature

Leigh Weston, Vahe Tshitoyan, John Dagdelen, Olga Kononova, Kristin Persson, Gerbrand Ceder, Anubhav Jain

Version 1 posted 05 June 2019

2,602

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Materials Chemistry

Working Paper

Precursor Reaction Pathway Leading to BiFeO3 Formation: Insights from Text-Mining and Chemical Reaction Network Analyses

Viktoriia Baibakova, Kevin Cruse, Michael Taylor, Carolin Sutter-Fella, Gerbrand Ceder, Anubhav Jain, Samuel Blau

Version 2 posted 11 December 2024

528

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Chemical Engineering and Industrial Chemistry

Review

Computational Catalysis and Machine Learning Applications to Water Treatment Technologies

Duo Wang, Ao Xie, Shengcun Ma, Wei Tong, Shiqiang Zou, Anubhav Jain

Version 1 posted 10 May 2024

919

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Materials Science

Working Paper

A High-Throughput Framework for Lattice Dynamics

Zhuoying Zhu, Junsoo Park, Hrushikesh Sahasrabuddhe, Alex Ganose, Rees Chang, John Lawson, Anubhav Jain

Version 2 posted 04 October 2024

1,237

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Theoretical and Computational Chemistry

Working Paper

Local Structure Order Parameters and Site Fingerprints for Quantification of Coordination Environment and Crystal Structure Similarity

Nils Zimmermann, Anubhav Jain

Version 1 posted 03 May 2019

705

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Theoretical and Computational Chemistry

Working Paper

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Amanda Wang, Ryan Kingsbury, Matthew McDermott, Matthew Horton, Anubhav Jain, Shyue Ping Ong, Shyam Dwaraknath, Kristin Persson

Version 1 posted 19 May 2021

2,054

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Theoretical and Computational Chemistry

Working Paper

Computational Discovery of Promising New n-type Dopable ABX Zintl Thermoelectric Materials

Prashun Gorai, Alex Ganose, Alireza Faghaninia, Anubhav Jain, Vladan Stevanovic

Version 1 posted 07 February 2020

889

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Inorganic Chemistry

Working Paper

Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures

Hillary Pan, Alex Ganose, Matthew Horton, Muratahan Aykol, Kristin Persson, Nils Zimmermann, Anubhav Jain

Version 2 posted 05 January 2021

2,053

Downloads

Materials Science

Working Paper

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

Ryan Kingsbury, Andrew S. Rosen, Ayush S. Gupta, Jason Munro, Shyue Ping Ong, Anubhav Jain, Shyam Dwaraknath, Matthew K. Horton, Kristin A. Persson

Version 1 posted 04 March 2022

486

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1

Citations

Refine Search

13 results in Anubhav Jain in Authors: Anubhav Jain

Machine learning in materials research: developments over the last decade and challenges for the future

Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature

Precursor Reaction Pathway Leading to BiFeO3 Formation: Insights from Text-Mining and Chemical Reaction Network Analyses

Computational Catalysis and Machine Learning Applications to Water Treatment Technologies

A High-Throughput Framework for Lattice Dynamics

Local Structure Order Parameters and Site Fingerprints for Quantification of Coordination Environment and Crystal Structure Similarity

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Computational Discovery of Promising New n-type Dopable ABX Zintl Thermoelectric Materials

Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures

A flexible and scalable scheme for mixing computed formation energies from different levels of theory

13 results in Authors: Anubhav Jain