Autonomous chemical reactions in scanning probe microscopy

Autooss Video of Autooss monitoring the STM Image dataset for four image classification models Dataset for Model_target Dataset for Model_ind Dataset for Model_diss Dataset for Model_triple optimized neural network parameters (.pth) Theoretical calculations (DFT and BOSS) Reaction trajectories of three reactions (first Br removal, second Br removal and two Br removal concurrently) Density of states for ZnBr2Me4DPP Orbitals Charge density difference (ZnBr2Me4DPP, ZnBrMe4DPP and Me4DPP on Au(111) BOSS for phenyl group andm methyl group BOSS for configurations of ZnBr2Me4DPP

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2024-09-09
DOI
https://doi.org/10.5281/zenodo.13735006
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
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article

Autonomous chemical reactions in scanning probe microscopy

Zenodo (CERN European Organization for Nuclear Research)
Machine Learning in Materials Science
article

Autonomous chemical reactions in scanning probe microscopy

article en

Abstract

Autooss Video of Autooss monitoring the STM Image dataset for four image classification models Dataset for Model_target Dataset for Model_ind Dataset for Model_diss Dataset for Model_triple optimized neural network parameters (.pth) Theoretical calculations (DFT and BOSS) Reaction trajectories of three reactions (first Br removal, second Br removal and two Br removal concurrently) Density of states for ZnBr2Me4DPP Orbitals Charge density difference (ZnBr2Me4DPP, ZnBrMe4DPP and Me4DPP on Au(111) BOSS for phenyl group andm methyl group BOSS for configurations of ZnBr2Me4DPP

Zenodo (CERN European Organization for Nuclear Research)
Universidad Autónoma de Madrid (ES), Swiss Federal Laboratories for Materials Science and Technology (CH), Aalto University (FI)
Openalex Percentile: Top 77%
Machine Learning in Materials Science
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