Domain overlap matrices from plane-wave-based methods of electronic structure calculation

• Orbital-based bonding analysis in solids

  2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

  28

  citations
• Tailoring chemical bonds to design unconventional glasses

  2024 Proceedings of the National Academy of Sciences article Materials Science Phase-change materials and chalcogenides Open access

  23

  citations
• Metavalent or Hypervalent Bonding: Is There a Chance for Reconciliation?

  2023 Advanced Science article Materials Science Phase-change materials and chalcogenides Open access

  51

  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
• Classification of properties and their relation to chemical bonding: Essential steps toward the inverse design of functional materials

  2022 Science Advances article Materials Science Machine Learning in Materials Science Open access

  56

  citations
• Halide Perovskites: Advanced Photovoltaic Materials Empowered by a Unique Bonding Mechanism

  2021 Advanced Functional Materials article Engineering Perovskite Materials and Applications Open access

  118

  citations
• The potential of chemical bonding to design crystallization and vitrification kinetics

  2021 Nature Communications article Materials Science Phase-change materials and chalcogenides Open access

  57

  citations
• Crystallization and Vitrification Kinetics by Design: The Role of Chemical Bonding

  2021 arXiv (Cornell University) preprint Materials Science Phase-change materials and chalcogenides Open access

  1

  citations
• Halide perovskites: third generation photovoltaic materials empowered by metavalent bonding

  2020 Research Square preprint Engineering Perovskite Materials and Applications Open access

  5

  citations
• Chalcogenides by Design: Functionality through Metavalent Bonding and Confinement

  2020 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access

  316

  citations
• The interplay between Peierls distortions and metavalent bonding in IV–VI compounds: comparing GeTe with related monochalcogenides

  2020 Journal of Physics D Applied Physics article Materials Science Phase-change materials and chalcogenides Open access

  76

  citations

11 results