Blar i SINTEF Open på forfatter "Flage-Larsen, Espen"

Viser treff 1-4 av 4

    • Common workflows for computing material properties using different quantum engines 

      Huber, Sebastiaan P.; Bosoni, Emanuele; Bercx, Marnik; Bröder, Jens; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Garcia, Alberto; Genovese, Luigi; Gresch, Dominik; Johnston, Conrad; Petretto, Guido; Poncé, Samuel; Rignanese, Gian-Marco; Sewell, Christopher J.; Smit, Berend; Tseplyaev, Vasily; Uhrin, Martin; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Zadoks, Austin; Zarabadi-Poor, Pezhman; Zhu, Bonan; Marzari, Nicola; Pizzi, Giovanni (Peer reviewed; Journal article, 2021)
      The prediction of material properties based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation packages. This plurality ...

    • Electron-phonon coupling in semiconductors within the GW approximation 

      Karsai, Ferenc; Engel, Manuel; Kresse, Georg; Flage-Larsen, Espen (Peer reviewed; Journal article, 2018)
      The magnitude of the renormalization of the band gaps due to zero-point motions of the lattice is calculated for 18 semiconductors, including diamond and silicon. This particular collection of semiconductors constitute a ...

    • Screening of thermoelectric silicides with atomistic transport calculations 

      Løvvik, Ole Martin; Flage-Larsen, Espen; Skomedal, Gunstein (Peer reviewed; Journal article, 2020)
      More than 1000 crystalline silicide materials have been screened for thermoelectric properties using first-principles atomistic calculations coupled with the semi-classical Boltzmann transport equation. Compounds that ...

    • Thermoelectric effect in superlattices; applicability of coherent and incoherent transport models 

      Musland, Lars; Flage-Larsen, Espen (Peer reviewed; Journal article, 2018)
      Calculations of thermoelectric transport coefficients including quantum effects are performed on superlattices using the Buttiker approximation. The results are compared to the Boltzmann transport equation with minibands ...