Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy

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• Finished

  Finnish Centre of Excellence in Quantum Technology

  Alipour, S. (Project Member), Ala-Nissilä, T. (Principal investigator), Fan, Z. (Project Member), Tuorila, J. (Project Member) & Hirvonen, P. (Project Member)

  01/01/2018 → 31/12/2020

  Project: Academy of Finland: Other research funding

  • Molecular Dynamics 100%
  • Application 96%
  • Semiconductor 96%
  • Correlation 91%
  • Thermal Conductivity 90%

• FUNTOMX: Controlled functionalization of two-dimensional MXene sheets

  Komsa, H.-P. (Principal investigator)

  01/09/2017 → 31/12/2019

  Project: Academy of Finland: Other research funding

  • Surface 100%
  • Density 77%
  • Calculation 76%
  • Group 73%
  • Titanium Carbide 71%