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Atomic Scale Simulations of Oxygen Reduction at the Solid-Liquid Interface
Yang, Xin
(PhD Student)
Hansen, Heine Anton
(Main Supervisor)
Bhowmik, Arghya
(Supervisor)
Vegge, Tejs
(Supervisor)
Exner, Kai Steffen
(Examiner)
Zhang, Chao
(Examiner)
Atomic Scale Materials Modelling
Department of Energy Conversion and Storage
Autonomous Materials Discovery
Overview
Fingerprint
Research output
(1)
Project Details
Status
Finished
Effective start/end date
01/10/2020
→
11/01/2024
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Fingerprint
Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
Density Functional Theory
Computer Science
100%
Machine Learning
Computer Science
100%
Oxygen Reduction Reaction
Chemistry
100%
Interatomic Potential
Chemistry
87%
Active Learning
Computer Science
66%
Computational Cost
Computer Science
66%
Experimental Result
Computer Science
66%
Uncertainty Estimation
Computer Science
33%
Research output
Research output per year
2023
2023
2023
1
Ph.D. thesis
Research output per year
Research output per year
Investigating oxygen reduction at gold-water interface with machine learning potentials
Yang, X.,
2023
, Kgs. Lyngby:
Technical University of Denmark
.
233 p.
Research output
:
Book/Report
›
Ph.D. thesis
Open Access
File
Machine Learning
100%
Density Functional Theory
100%
Oxygen Reduction Reaction
100%
Neural Network
100%
Learning System
100%
118
Downloads (Pure)