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gptkbp:instanceOf
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gptkb:research_institute
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gptkbp:abbreviation
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gptkb:MVL
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gptkbp:affiliation
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gptkb:University_of_California,_San_Diego
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gptkbp:field
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gptkb:artificial_intelligence
gptkb:machine_learning
materials science
computational materials science
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gptkbp:founder
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gptkb:Shyue_Ping_Ong
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https://www.w3.org/2000/01/rdf-schema#label
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Materials Virtual Lab
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gptkbp:leader
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gptkb:Shyue_Ping_Ong
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gptkbp:location
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gptkb:San_Diego,_California
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gptkbp:notableProject
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gptkb:pymatgen
gptkb:Materials_Project
MEGNet
Matbench
|
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gptkbp:notablePublication
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A graph-based framework for high-throughput materials screening
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
A universal graph deep learning interatomic potential for the periodic table
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gptkbp:parentOrganization
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gptkb:University_of_California,_San_Diego
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gptkbp:researchInterest
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catalysis
batteries
energy materials
computational methods
materials discovery
data-driven materials science
machine learning for materials
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gptkbp:website
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https://materialsvirtuallab.org/
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gptkbp:bfsParent
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gptkb:pymatgen
|
|
gptkbp:bfsLayer
|
8
|