The high-throughput highway to computational materials design

• Towards sustainable exploration of chemical spaces with machine learning

  2026 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

  0

  citations
• 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
• Tellurides as Zintl phases?

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

  4

  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
• Synergizing ontologies and graph databases for highly flexible materials-to-device workflow representations

  2023 Journal of Materials Informatics article Computer Science Semantic Web and Ontologies Open access

  3

  citations
• Principles of the Battery Data Genome

  2022 Joule article Engineering Advancements in Battery Materials Open access

  130

  citations
• Strain-stabilized Al-containing high-entropy sublattice nitrides

  2021 Acta Materialia article Engineering High Entropy Alloys Studies Open access cited by 1 patent

  66

  citations
• Exploring the frontier between polar intermetallics and Zintl phases for the examples of the prolific ALnTnTe3-type alkali metal (A) lanthanide (Ln) late transition metal (Tn) tellurides

  2021 Zeitschrift für Naturforschung B article Materials Science Crystal Structures and Properties

  7

  citations
• Bonding diversity in rock salt-type tellurides: examining the interdependence between chemical bonding and materials properties

  2021 RSC Advances article Materials Science Crystal Structures and Properties Open access

  25

  citations
• Revealing the Bonding Nature in an ALnZnTe3-Type Alkaline-Metal (A) Lanthanide (Ln) Zinc Telluride by Means of Experimental and Quantum-Chemical Techniques

  2020 Crystals article Materials Science Crystal Structures and Properties Open access

  13

  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
• Revisiting the Zintl‒Klemm Concept for ALn2Ag3Te5-Type Alkaline-Metal (A) Lanthanide (Ln) Silver Tellurides

  2020 Crystals article Materials Science Crystal Structures and Properties Open access

  16

  citations
• Computation of topological phase diagram of disordered Pb1−xSnxTe using the kernel polynomial method

  2020 Physical Review Research article Physics and Astronomy Topological Materials and Phenomena Open access

  49

  citations

13 results