Active Site Representation in First-Principles Microkinetic Models: Data-Enhanced Computational Screening for Improved Methanation Catalysts by Martin Deimel Karsten Reuter & Mie Andersen
Author:Martin Deimel, Karsten Reuter & Mie Andersen , Date: July 24, 2024
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Author:Martin Deimel, Karsten Reuter & Mie Andersen
Format: pdf
Tags: ACS Catal. 2020.10:13729-13736, computational screening, heterogeneous catalysis, active site representation, density functional theory, microkinetic modeling, compressed sensing, machine learning
Published: 0101-01-01T00:00:00+00:00
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