Structures generation CH3

ScienceDB 2026 Dataset Open access

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Authors: 齐蕊
DOI: 10.57760/sciencedb.36684
Cited by: 0

Abstract

This dataset provides the supporting data for the work“Targeted Exploration of Ten-Million Catalyst Candidates for Methane Conversion via Distributed Generative Transformers.”It contains all generated catalyst surface structures, as well as the corresponding screening results and energy evaluations used in this study.

Fields of Study & Subjects

Machine Learning in Materials Science Catalytic Processes in Materials Science Catalysts for Methane Reforming

Publication details

Journal / source
ScienceDB
Publication date
31 January 2026
Language
EN
Document type
Dataset