Nick Gerrits (N Gerrits)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 29

Top Topics

Pseudomonas Aeruginosa

Density Functional Theory

Breast Cancer Cells

Highly Efficient

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. C, Nanomaterials and interfaces

Journal of chemical theory and computation

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Yuxiang Cai, Roel Michiels, Federica De Luca, Erik C Neyts, Xin Tu, Annemie Bogaerts, Nick Gerrits
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (21) (2024)
Nick Gerrits, Bret Jackson, Annemie Bogaerts
Accurate Reaction Probabilities for Translational Energies on Both Sides of the Barrier of Dissociative Chemisorption on Metal Surfaces. The journal of physical chemistry letters (2024)
Andrew D Powell, Nick Gerrits, Theophile Tchakoua, Mark F Somers, Heriberto Fabio Busnengo, Jörg Meyer, Geert-Jan Kroes, Katharina Doblhoff-Dier
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals. The journal of physical chemistry letters 15 (1) (2024)
Nick Gerrits, Bret Jackson, Annemie Bogaerts
Accurate Reaction Probabilities for Translational Energies on Both Sides of the Barrier of Dissociative Chemisorption on Metal Surfaces. The journal of physical chemistry letters 15 (9) (2024)
Nick Gerrits, Bret Jackson, Annemie Bogaerts
Accurate Reaction Probabilities for Translational Energies on Both Sides of the Barrier of Dissociative Chemisorption on Metal Surfaces. The journal of physical chemistry letters 15 (9) (2024)
Yuxiang Cai, Roel Michiels, Federica De Luca, Erik C Neyts, Xin Tu, Annemie Bogaerts, Nick Gerrits
Improving Molecule-Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO 2 Hydrogenation. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (21) (2024)
Roel Michiels, Nick Gerrits, Erik C Neyts, Annemie Bogaerts
Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley-Rideal? The journal of physical chemistry. C, Nanomaterials and interfaces 128 (27) (2024)
Andrew D Powell, Nick Gerrits, Theophile Tchakoua, Mark F Somers, Heriberto Fabio Busnengo, Jörg Meyer, Geert-Jan Kroes, Katharina Doblhoff-Dier
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals. The journal of physical chemistry letters (2024)
Andrew D Powell, Nick Gerrits, Theophile Tchakoua, Mark F Somers, Heriberto Fabio Busnengo, Jörg Meyer, Geert-Jan Kroes, Katharina Doblhoff-Dier
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals. The journal of physical chemistry letters 15 (1) (2024)
Roel Michiels, Nick Gerrits, Erik C Neyts, Annemie Bogaerts
Plasma Catalysis Modeling: How Ideal Is Atomic Hydrogen for Eley-Rideal? The journal of physical chemistry. C, Nanomaterials and interfaces 128 (27) (2024)
Robert A B van Bree, Nick Gerrits, Geert-Jan Kroes
Dissociative chemisorption of O 2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach. Faraday discussions (2024)
Nick Gerrits, Bret Jackson, Annemie Bogaerts
Accurate Reaction Probabilities for Translational Energies on Both Sides of the Barrier of Dissociative Chemisorption on Metal Surfaces. The journal of physical chemistry letters 15 (9) (2024)
Andrew D Powell, Nick Gerrits, Theophile Tchakoua, Mark F Somers, Heriberto Fabio Busnengo, Jörg Meyer, Geert-Jan Kroes, Katharina Doblhoff-Dier
Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals. The journal of physical chemistry letters 15 (1) (2024)
Robert A B van Bree, Nick Gerrits, Geert-Jan Kroes
Dissociative chemisorption of O 2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach. Faraday discussions 251 (0) (2024)
Robert A B van Bree, Nick Gerrits, Geert-Jan Kroes
Dissociative chemisorption of O 2 on Al(111): dynamics on a potential energy surface computed with a non-self-consistent screened hybrid density functional approach. Faraday discussions 251 (0) (2024)
Theophile Tchakoua, Andrew D Powell, Nick Gerrits, Mark F Somers, Katharina Doblhoff-Dier, Heriberto Fabio Busnengo, Geert-Jan Kroes
Simulating Highly Activated Sticking of H 2 on Al(110): Quantum versus Quasi-Classical Dynamics. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (11) (2023)
Theophile Tchakoua, Tim Jansen, Youri van Nies, Rebecca F A van den Elshout, Bart A B van Boxmeer, Saskia P Poort, Michelle G Ackermans, Gabriel Spiller Beltrão, Stefan A Hildebrand, Steijn E J Beekman, Thijs van der Drift, Sam Kaart, Anthonie Šantić, Esmee E Spuijbroek, Nick Gerrits, Mark F Somers, Geert-Jan Kroes
Constructing Mixed Density Functionals for Describing Dissociative Chemisorption on Metal Surfaces: Basic Principles. The journal of physical chemistry. A (2023)
Theophile Tchakoua, Andrew D Powell, Nick Gerrits, Mark F Somers, Katharina Doblhoff-Dier, Heriberto Fabio Busnengo, Geert-Jan Kroes
Simulating Highly Activated Sticking of H 2 on Al(110): Quantum versus Quasi-Classical Dynamics. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (11) (2023)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation (2022)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation 19 (1) (2022)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation 19 (1) (2022)
Nick Gerrits, Egidius W F Smeets, Stefan Vuckovic, Andrew D Powell, Katharina Doblhoff-Dier, Geert-Jan Kroes
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 13 (45) (2022)
Theophile Tchakoua, Nick Gerrits, Egidius W F Smeets, Geert-Jan Kroes
SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces. Journal of chemical theory and computation 19 (1) (2022)
Nick Gerrits
Accurate Simulations of the Reaction of H 2 on a Curved Pt Crystal through Machine Learning. The journal of physical chemistry letters 12 (51) (2021)
Nick Gerrits, Jan Geweke, Daniel J Auerbach, Rainer D Beck, Geert-Jan Kroes
Highly Efficient Activation of HCl Dissociation on Au(111) via Rotational Preexcitation. The journal of physical chemistry letters 12 (30) (2021)
Nick Gerrits, Egidius W F Smeets, Stefan Vuckovic, Andrew D Powell, Katharina Doblhoff-Dier, Geert-Jan Kroes
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 11 (24) (2020)
Nick Gerrits, Khosrow Shakouri, Jörg Behler, Geert-Jan Kroes
Accurate Probabilities for Highly Activated Reaction of Polyatomic Molecules on Surfaces Using a High-Dimensional Neural Network Potential: CHD3 + Cu(111). The journal of physical chemistry letters 10 (8) (2019)
Nick Gerrits, Geert-Jan Kroes
An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation. The Journal of chemical physics 150 (2) (2019)
Nick Gerrits, Davide Migliorini, Geert-Jan Kroes
Dissociation of CHD3 on Cu(111), Cu(211), and single atom alloys of Cu(111). The Journal of chemical physics 149 (22) (2018)