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Updated: Jun 13, 2025

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Published on: June 13, 2023
Integration of scanning probe microscope with high-performance computing: Fixed-policy and reward-driven workflows
Yu Liu1, Utkarsh Pratiush1, Jason Bemis2
1Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.
We developed a Python interface for automated scanning probe microscopy (SPM) control, enabling machine learning-driven scientific discovery. This infrastructure supports both routine tasks and advanced autonomous research.
Area of Science:
- Materials Science
- Nanotechnology
- Computational Science
Background:
- Scanning Probe Microscopy (SPM) is crucial for nanoscale characterization.
- Automating SPM operations can accelerate scientific discovery.
- Integrating machine learning (ML) with SPM requires robust computational infrastructure.
Purpose of the Study:
- To create a Python interface for controlling SPM systems.
- To enable the use of high-performance computing for ML-driven SPM workflows.
- To establish a platform for automating scientific discovery using SPM.
Main Methods:
- Development of a Python interface library for SPM control.
- Integration with local and remote high-performance computing resources.
- Implementation of a platform for abstracting SPM operations into ML workflows.
Main Results:
- A functional Python interface enabling seamless SPM control.
- Demonstrated capability to leverage high computation power for ML algorithms.
- A versatile platform supporting automated SPM workflows.
Conclusions:
- The developed infrastructure facilitates automated SPM operations.
- This system enables autonomous scientific discovery through machine learning.
- The platform supports both routine SPM tasks and advanced research.
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