• Conductivity control via minimally invasive anti-Frenkel defects in a functional oxide 

      Evans, Donald; Holstad, Theodor Secanell; Mosberg, Aleksander Buseth; Småbråten, Didrik Rene; Vullum, Per Erik; Dadlani, Anup; Shapovalov, Konstantin; Yan, Zewu; Bourret, Edith; Gao, David Zhe; Akola, Jaakko; Torgersen, Jan; Van Helvoort, Antonius; Selbach, Sverre Magnus; Meier, Dennis (Peer reviewed; Journal article, 2020)
      Utilizing quantum effects in complex oxides, such as magnetism, multiferroicity and superconductivity, requires atomic-level control of the material’s structure and composition. In contrast, the continuous conductivity ...
    • DScribe: Library of descriptors for machine learning in materials science 

      Himanen, Lauri; Jager, Marc OJ; Morooka, Eiaki V; Federici Canova, Filippo; Ranawat, Yashasvi S; Gao, David Zhe; Rinke, Patrick; Foster, Adam S (Journal article; Peer reviewed, 2019)
      DScribe is a software package for machine learning that provides popular feature transformations (“descriptors”) for atomistic materials simulations. DScribe accelerates the application of machine learning for atomistic ...
    • Mechanisms of oxygen vacancy aggregation in SiO 2 and HfO 2 

      Gao, David Zhe; Strand, Jack; Munde, Manveer S; Shluger, Alexander L (Journal article; Peer reviewed, 2019)
      Dielectric oxide films in electronic devices undergo significant structural changes during device operation under bias. These changes are usually attributed to aggregation of oxygen vacancies resulting in formation of ...