Comment on “Generalized Gradient Approximation Made Simple”

• Best-of-both-worlds computational approaches to difficult-to-model dissociation reactions on metal surfaces

  2024 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access

  15

  citations
• SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

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

  39

  citations
• Elucidating the Initial Oxidation of Pt(111) Using Large-Scale Atomistic Thermodynamics: A ReaxFF Study

  2022 The Journal of Physical Chemistry C article Materials Science Catalytic Processes in Materials Science Open access

  8

  citations
• Instability of the Li7SiPS8 Solid Electrolyte at the Lithium Metal Anode and Interphase Formation

  2022 Chemistry of Materials article Engineering Advanced Battery Materials and Technologies

  31

  citations
• Properties of the Pt(111)/electrolyte electrochemical interface studied with a hybrid DFT–solvation approach

  2021 Journal of Physics Condensed Matter article Physics and Astronomy Advanced Chemical Physics Studies Open access

  33

  citations
• Interaction of Aromatic Molecules with Forsterite: Accuracy of the Periodic DFT-D4 Method

  2021 The Journal of Physical Chemistry A article Physics and Astronomy Advanced Chemical Physics Studies Open access

  13

  citations
• Designing new SRP density functionals including non-local vdW-DF2 correlation for H 2 + Cu(111) and their transferability to H 2 + Ag(111), Au(111) and Pt(111)

  2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  18

  citations

7 results