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Dataset.

Supplemental Material: Machine-learning-boosted ab-initio study of the thermal conductivity of Janus PtSTe van der Waals heterostructures

Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/343503
Digital.CSIC. Repositorio Institucional del CSIC
  • Pan, Lijun
  • Carrete, Jesús
  • Wang, Zhao
  • Madsen, Georg K.H.
Parity plots of the neural-network force field, phonon spectrum and anharmonic scattering rates of the AB-stacked PtS2 bilayer, comparison of ab-initio vs. machine-learning phonon dispersions of monolayers and bilayers, and illustration of the effect of classical (equipartition) occupations., Peer reviewed
 
DOI: http://hdl.handle.net/10261/343503
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/343503

HANDLE: http://hdl.handle.net/10261/343503
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/343503
 
Ver en: http://hdl.handle.net/10261/343503
Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/343503
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Digital.CSIC. Repositorio Institucional del CSIC
oai:digital.csic.es:10261/343503
Dataset. 2024

SUPPLEMENTAL MATERIAL: MACHINE-LEARNING-BOOSTED AB-INITIO STUDY OF THE THERMAL CONDUCTIVITY OF JANUS PTSTE VAN DER WAALS HETEROSTRUCTURES

Digital.CSIC. Repositorio Institucional del CSIC
  • Pan, Lijun
  • Carrete, Jesús
  • Wang, Zhao
  • Madsen, Georg K.H.
Parity plots of the neural-network force field, phonon spectrum and anharmonic scattering rates of the AB-stacked PtS2 bilayer, comparison of ab-initio vs. machine-learning phonon dispersions of monolayers and bilayers, and illustration of the effect of classical (equipartition) occupations., Peer reviewed

HANDLE: http://hdl.handle.net/10261/343503


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