Gaussian Process Regression for Materials and Molecules

• Methodology for assessing the effects of granular composition on power consumption curves in concrete mixing

  2026 Cement and Concrete Research article Engineering Concrete and Cement Materials Research Open access

  0

  citations
• Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials

  2026 Computational Materials Science article Materials Science Machine Learning in Materials Science Open access

  1

  citations
• Supported Catalytically Active Liquid Metal Solutions (SCALMS) for Propane Dehydrogenation–Intermetallic Phases and Liquid Alloys Studied by Pair Distribution Function Analysis and Density Functional Theory

  2025 Advanced Science article Chemical Engineering Catalysis and Oxidation Reactions Open access

  5

  citations
• The role of point defect reconstructions and polycyclic aromatic hydrocarbons in silicate dust preservation

  2024 Monthly Notices of the Royal Astronomical Society article Physics and Astronomy Astrophysics and Star Formation Studies Open access

  6

  citations
• Linking Bulk and Surface Structures in Complex Mixed Oxides

  2024 ACS Catalysis article Chemical Engineering Catalysis and Oxidation Reactions Open access

  7

  citations
• Machine Learning Isotropic g Values of Radical Polymers

  2024 Journal of Chemical Theory and Computation article Materials Science Machine Learning in Materials Science Open access

  5

  citations
• Graphene at Liquid Copper Catalysts: Atomic‐Scale Agreement of Experimental and First‐Principles Adsorption Height

  2022 Advanced Science article Materials Science Graphene research and applications Open access

  23

  citations
• Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height

  2022 ChemRxiv preprint Materials Science Graphene research and applications Open access

  3

  citations

8 results

• Bonding similarities and differences between Y–Sb–Te and Sc–Sb–Te phase-change memory materials

  2020 Journal of Materials Chemistry C article Materials Science Phase-change materials and chalcogenides Open access cited by 1 patent

  37

  citations

1 result