Egidius W. F. Smeets

Leiden University — Netherlands

Physics and Astronomy · Physical Sciences

10h-index339citations14works0.02yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(13), Machine Learning in Materials Science(8), Molecular Junctions and Nanostructures(5), Catalytic Processes in Materials Science(4), Quantum, superfluid, helium dynamics(3)

Publications14 total

SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces
Journal of Chemical Theory and Computation·2022· 36 citedOpen Access
Correction to “Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not”
The Journal of Physical Chemistry Letters·2022· 4 citedOpen Access
Correction to “Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)”
The Journal of Physical Chemistry C·2021Open Access
Assessing density functionals for describing methane dissociative chemisorption on Pt(110)-(2×1) surface
Chinese Journal of Chemical Physics·2021· 8 citedOpen Access
Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H<sub>2</sub> + Cu(111), D<sub>2</sub> + Ag(111), H<sub>2</sub> + Au(111), and D<sub>2</sub> + Pt(111)
The Journal of Physical Chemistry C·2021· 20 citedOpen Access
Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not
The Journal of Physical Chemistry Letters·2020· 81 citedOpen Access
Designing new SRP density functionals including non-local vdW-DF2 correlation for H<sub>2</sub> + Cu(111) and their transferability to H<sub>2</sub> + Ag(111), Au(111) and Pt(111)
Physical Chemistry Chemical Physics·2020· 17 citedOpen Access
Closing the Gap Between Experiment and Theory: Reactive Scattering of HCl from Au(111)
The Journal of Physical Chemistry C·2020· 35 citedOpen Access
Correction to “Quantum Dynamics of Dissociative Chemisorption of H<sub>2</sub> on the Stepped Cu(211) Surface″
The Journal of Physical Chemistry C·2019· 1 citedOpen Access
Quantum Dynamics of Dissociative Chemisorption of H<sub>2</sub> on the Stepped Cu(211) Surface
The Journal of Physical Chemistry C·2019· 27 citedOpen Access
Toward a Specific Reaction Parameter Density Functional for H<sub>2</sub> + Ni(111): Comparison of Theory with Molecular Beam Sticking Experiments
The Journal of Physical Chemistry C·2019· 17 citedOpen Access
Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H<sub>2</sub> + Cu(111) and H<sub>2</sub> + Ag(111)
The Journal of Physical Chemistry A·2019· 44 citedOpen Access
Transferability of the Specific Reaction Parameter Density Functional for H<sub>2</sub> + Pt(111) to H<sub>2</sub> + Pt(211)
The Journal of Physical Chemistry C·2019· 20 citedOpen Access
Anomalous Dependence of the Reactivity on the Presence of Steps: Dissociation of D<sub>2</sub> on Cu(211)
The Journal of Physical Chemistry Letters·2017· 29 citedOpen Access

Frequent Co-authors

Geert–Jan Kroes(14), Nick Gerrits(5), Johannes Voss(4), Gernot Füchsel(4), Stefan Vuckovic(2), A.D. Powell.(2), Katharina Doblhoff-Dier(2), Théophile Tchakoua(2), Jan Geweke(2), Alec M. Wodtke(2), Ludo B. F. Juurlink(2), Mark F. Somers(2), Kun Cao(1), Süleyman Er(1), Aart W. Kleyn(1), Elham Nour Ghassemi(1), Irene M. N. Groot(1), Fenfei Wei(1), Sen Lin(1), Hua Guo(1)