Published September 14, 2024
| Version v1
Journal article
Open
Precise Large-Scale Chemical Transformations on Surfaces: Deep Learning Meets Scanning Probe Microscopy with Interpretability
Creators
-
1.
Aalto University
-
2.
Universidad Autónoma de Madrid
-
3.
Swiss Federal Laboratories for Materials Science and Technology
- 4. Autonomous University of Madrid
Description
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 and DFT for configurations of ZnBr2Me4DPP and STM simulations
Files
autooss_speed_up_20.mp4
Files
(635.1 MB)
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