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The Journal of Physical Chemistry Letters
|
August 14, 2020
Tuning Adsorption Energies and Reaction Pathways by Alloying: PdZn versus Pd for CO<sub>2</sub> Hydrogenation to Methanol
Florian Brix, Valentin Desbuis, Laurent Piccolo, et al.
Journal of Chemical Theory and Computation
|
August 19, 2024
Hydrogen, Oxygen, and Lead Adsorbates on Al<sub>13</sub>Co<sub>4</sub>(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data
Nathan Boulangeot, Florian Brix, Frédéric Sur, et al.
The Journal of Chemical Physics
|
May 15, 2024
Cascading symmetry constraint during machine learning-enabled structural search for sulfur-induced Cu(111)-(43×43) surface reconstruction
Florian Brix, Mads-Peter Verner Christiansen, Bjørk Hammer
The Journal of Physical Chemistry Letters
|
February 2, 2026
How N-Doping Promotes Hydrogen Dissociation at Graphene-Based Single-Atom Catalysts
Safouan Ziat, Florian Brix, Arshak Tsaturyan, et al.
Nanoscale
|
June 16, 2021
Two-dimensional oxide quasicrystal approximants with tunable electronic and magnetic properties
Thiago Trevizam Dorini, Florian Brix, Corentin Chatelier, et al.
Physical Review Letters
|
February 21, 2025
Augmentation of Universal Potentials for Broad Applications
Joe Pitfield, Florian Brix, Zeyuan Tang, et al.
The Journal of Chemical Physics
|
November 8, 2022
Atomistic structure search using local surrogate model
Nikolaj Rønne, Mads-Peter V Christiansen, Andreas Møller Slavensky, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
The Journal of Physical Chemistry Letters
|
August 14, 2020
Tuning Adsorption Energies and Reaction Pathways by Alloying: PdZn versus Pd for CO<sub>2</sub> Hydrogenation to Methanol
Florian Brix, Valentin Desbuis, Laurent Piccolo, et al.
Journal of Chemical Theory and Computation
|
August 19, 2024
Hydrogen, Oxygen, and Lead Adsorbates on Al<sub>13</sub>Co<sub>4</sub>(100): Accurate Potential Energy Surfaces at Low Computational Cost by Machine Learning and DFT-Based Data
Nathan Boulangeot, Florian Brix, Frédéric Sur, et al.
The Journal of Chemical Physics
|
May 15, 2024
Cascading symmetry constraint during machine learning-enabled structural search for sulfur-induced Cu(111)-(43×43) surface reconstruction
Florian Brix, Mads-Peter Verner Christiansen, Bjørk Hammer
The Journal of Physical Chemistry Letters
|
February 2, 2026
How N-Doping Promotes Hydrogen Dissociation at Graphene-Based Single-Atom Catalysts
Safouan Ziat, Florian Brix, Arshak Tsaturyan, et al.
Nanoscale
|
June 16, 2021
Two-dimensional oxide quasicrystal approximants with tunable electronic and magnetic properties
Thiago Trevizam Dorini, Florian Brix, Corentin Chatelier, et al.
Physical Review Letters
|
February 21, 2025
Augmentation of Universal Potentials for Broad Applications
Joe Pitfield, Florian Brix, Zeyuan Tang, et al.
The Journal of Chemical Physics
|
November 8, 2022
Atomistic structure search using local surrogate model
Nikolaj Rønne, Mads-Peter V Christiansen, Andreas Møller Slavensky, et al.
Page
of 1