Version 0
COHInPt_schaaf_2023
View DatasetSchaaf, Lars;Fako, Edvin;Sandip De;Schafer, Ansgar;Gabor Csanyi
Description
Training and simulation data from machine learning force field model applied to steps of the hydrogenation of carbon dioxide to methanol over an indium oxide catalyst, with and without platinum doping.
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Metrics Over Time
Publication Details
Subfield
Information Systems
Field
Computer Science
Domain
Physical Sciences
Confidence Score
50%
Source
Scholar Data Model
Keywords
ColabFitDatasetAgPd_NPJ_2021Materials Sciencehttps://id.loc.gov/authorities/subjects/sh85082094.htmlMachine Learninghttps://id.loc.gov/authorities/subjects/sh85079324.htmlTechniques/Computational Techniques/First-principles calculationsTechniques/Computational Techniques/Machine LearningTechniques/Computational Techniques/Molecular DynamicsResearch Areas/Atomic & molecular structure/Potential energy surfacesResearch Areas/Electronic structure/Interatomic & molecular potentials