Chemical accuracy for the van der Waals density functional

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  2025 Materials Today article Engineering Electrochemical sensors and biosensors

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  2024 Inorganic Chemistry article Materials Science Boron and Carbon Nanomaterials Research

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• Haldane topological spin-1 chains in a planar metal-organic framework

  2023 Nature Communications article Physics and Astronomy Advanced Condensed Matter Physics Open access

  27

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  18

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• 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

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• Large Distortion of Fused Aromatics on Dielectric Interlayers Quantified by Photoemission Orbital Tomography

  2022 ACS Nano article Materials Science Electron and X-Ray Spectroscopy Techniques Open access

  8

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  19

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  17

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• Stopping molecular rotation using coherent ultra-low-energy magnetic manipulations.

  2022 Research Square preprint Physics and Astronomy Cold Atom Physics and Bose-Einstein Condensates Open access

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• Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H 2 + Cu(111), D 2 + Ag(111), H 2 + Au(111), and D 2 + Pt(111)

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

  23

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• Beyond the static corrugation model: Dynamic surfaces with the embedded atom method

  2021 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  14

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• Moiré metrology of energy landscapes in van der Waals heterostructures

  2021 Nature Communications article Materials Science 2D Materials and Applications Open access

  97

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• Moiré metrology of energy landscapes in van der Waals heterostructures

  2021 RWTH Publications (RWTH Aachen) article Materials Science 2D Materials and Applications Open access

  83

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• Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

  2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  96

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• 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

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• New Insights into Silicon Purification by Alloying–Leaching Refining: A Comparative Study of Mg–Si, Ca–Si, and Ca–Mg–Si Systems

  2020 ACS Sustainable Chemistry & Engineering article Engineering Silicon and Solar Cell Technologies Open access

  22

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16 results