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Esfarjani, K.
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Ab initio phonon transport across grain boundaries in graphene using machine learning based on small dataset
by
Esfarjani
,
K
.
,
Guo, R.
,
Hashemi, A.
,
Lee, S.
Published 2022
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Related Subjects
Ab initio
Computation theory
Computational costs
Configurational spaces
Cost effectiveness
Density functional theory
Dislocations densities
Functional materials
Grain boundaries
Grain-boundaries
Graphene
Interatomic potential
Machine learning
Phonons
Predictive power
Single crystals
Structural unit
Thermal transport
Training dataset
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