AFLOW: An automatic framework for high-throughput materials discovery

• Towards sustainable exploration of chemical spaces with machine learning

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

  0

  citations
• Thermodynamic modelling of the Al–Ni–V system

  2025 Calphad article Engineering Thermodynamic and Structural Properties of Metals and Alloys Open access

  2

  citations
• Atomate2: modular workflows for materials science

  2025 Digital Discovery article Materials Science Machine Learning in Materials Science Open access

  43

  citations
• Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor

  2023 Inorganics article Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  2

  citations
• Revisiting the Nature of Chemical Bonding in Chalcogenides to Explain and Design their Properties

  2022 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access cited by 1 patent

  161

  citations
• A robust and efficient line search for self-consistent field iterations

  2022 Journal of Computational Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  7

  citations
• Common workflows for computing material properties using different quantum engines

  2021 npj Computational Materials article Materials Science Machine Learning in Materials Science Open access

  40

  citations

7 results