Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)

• Tellurides as Zintl phases—to be or not to be?

  2025 Japanese Journal of Applied Physics article Materials Science Advanced Thermoelectric Materials and Devices Open access

  1

  citations
• Itinerant versus localized magnetism in spin-gapped metallic half-Heusler compounds: Stoner criterion and magnetic interactions

  2025 Physical review. B./Physical review. B article Materials Science Heusler alloys: electronic and magnetic properties

  5

  citations
• Angular-dependent interatomic potential for large-scale simulation of bcc and hcp multi-component refractory alloys

  2025 Computational Materials Science article Materials Science Fusion materials and technologies Open access

  5

  citations
• 33 Unresolved Questions in Nanoscience and Nanotechnology

  2025 ACS Nano article Engineering Nanotechnology research and applications Open access

  57

  citations
• Influence of Al incorporation on the thermal stability, mechanical properties and oxidation behavior of (Ti,V,Zr,Nb,Hf,Ta)1-xAlxN thin films (x = 0, 0.1)

  2025 Surface and Coatings Technology article Engineering Metal and Thin Film Mechanics Open access

  2

  citations
• Tellurides as Zintl phases?

  2025 Journal of Physics Condensed Matter article Materials Science Crystal Structures and Properties Open access

  4

  citations
• Spin gapped metals: A novel class of materials for multifunctional spintronic devices

  2025 Journal of Magnetism and Magnetic Materials article Materials Science Heusler alloys: electronic and magnetic properties Open access

  6

  citations
• Influence of Al Incorporation on the Thermal Stability, Mechanical Properties and Oxidation Behavior of (Ti,V,Zr,Nb,Hf,Ta)1-Xalxn Thin Films (X = 0, 0.1)

  2025 SSRN Electronic Journal preprint Engineering Metal and Thin Film Mechanics Open access

  0

  citations
• In silico design and prediction of metastable quaternary phases in Cu–Ni–Si–Cr alloys

  2024 APL Machine Learning article Materials Science Machine Learning in Materials Science Open access

  3

  citations
• Bonding Analyses in the Broad Realm of Intermetallics: Understanding the Role of Chemical Bonding in the Design of Novel Materials

  2024 Chemistry of Materials article Engineering Intermetallics and Advanced Alloy Properties

  33

  citations
• Screening strategy for developing thermoelectric interface materials

  2023 Science article Materials Science Advanced Thermoelectric Materials and Devices

  253

  citations
• Forced Disorder in the Solid Solution Li 3 P–Li 2 S: A New Class of Fully Reduced Solid Electrolytes for Lithium Metal Anodes

  2022 Journal of the American Chemical Society article Engineering Advanced Battery Materials and Technologies Open access cited by 2 patents

  47

  citations
• Probing the Validity of the Zintl−Klemm Concept for Alkaline-Metal Copper Tellurides by Means of Quantum-Chemical Techniques

  2020 Materials article Materials Science Crystal Structures and Properties Open access

  19

  citations

13 results