Publications
\(_{Yongtao}\) \(_{Liu,}\)
\(_{liuy3@ornl.gov,}\) \(_{youngtaoliu@gmail.com}\)
\(_{July}\) \(_{2026}\)
This chapter lists peer-reviewed publications and preprints on automated and autonomous microscopy that are built on, demonstrate, or are reproducible with AEcroscopy. The works span a range of topics including active learning, deep kernel learning, hypothesis-driven experimentation, agentic AI, and high-throughput characterization of ferroelectric and perovskite materials.
2026
27. Narasimha, Ganesh, Ralph Bulanadi, Jawad Chowdhury, Rama Vasudevan, and Yongtao Liu. “Self-Driving Scanning Probe Microscopy: From Acceleration to Discovery and Manipulation.” Accounts of Chemical Research (2026).
26. Bulanadi, Ralph, et al. “Beyond Scalar Objectives: Expert-Feedback-Driven Autonomous Experimentation for Scientific Discovery at the Nanoscale.” arXiv:2605.21820 (2026).
25. Chowdhury, Jawad, et al. “Quality-Controlled Active Learning via Gaussian Processes for Robust Structure-Property Learning in Autonomous Microscopy.” arXiv:2603.29135 (2026).
24. Gong, Jiawei, et al. “Accelerating Structure-Property Relationship Discovery with Multimodal Machine Learning and Self-Driving Microscopy.” arXiv:2603.17028 (2026).
23. Biswas, Arpan, Hiroshi Funakubo, and Yongtao Liu. “Human-AI Collaborative Autonomous Experimentation With Proxy Modeling for Comparative Observation.” arXiv:2603.12618 (2026).
2025
22. Liu, Yongtao, et al. “Polarization Switching on the Open Surfaces of the Wurtzite Ferroelectric Nitrides: Ferroelectric Subsystems and Electrochemical Reactivity.” Advanced Materials (2025).
21. Checa, Marti, et al. “Autonomous Multistate Nanoencoding Using Combinatorial Ferroelectric Closure Domains in BiFeO₃.” ACS Nano (2025).
20. Bulanadi, Ralph, et al. “Beyond Optimization: Exploring Novelty Discovery in Autonomous Experiments.” ACS Nanoscience Au (2025).
19. Pratiush, Utkarsh, et al. “Scientific Exploration with Expert Knowledge (SEEK) in Autonomous Scanning Probe Microscopy with Active Learning.” Digital Discovery 4 (2025): 252–263.
18. Vatsavai, Aditya, et al. “Curiosity Driven Exploration to Optimize Structure-Property Learning in Microscopy.” Digital Discovery 4 (2025): 2188–2197.
17. Biswas, Arpan, et al. “SANE: Strategic Autonomous Non-Smooth Exploration for Multiple Optima Discovery in Multi-Modal and Non-Differentiable Black-Box Functions.” Digital Discovery 4 (2025): 853–867.
16. Bulanadi, Ralph, et al. “Auto-3DPFM: Automating Polarization-Vector Mapping at the Nanoscale.” arXiv:2512.09249 (2025).
2024
15. Raghavan, Aditya, et al. “Evolution of Ferroelectric Properties in SmxBi1–xFeO3 via Automated Piezoresponse Force Microscopy across Combinatorial Spread Libraries.” ACS Nano 18.37 (2024): 25591–25600.
14. Yang, J., et al. “Coexistence and Interplay of Two Ferroelectric Mechanisms in Zn₁₋ₓMgₓO.” Advanced Materials (2024).
13. Checa, Marti, et al. “On-demand nanoengineering of in-plane ferroelectric topologies.” Nature Nanotechnology (2024).
12. Smith, Benjamin, et al. “Physics-informed models of domain wall dynamics as a route for autonomous domain wall design via reinforcement learning.” Digital Discovery (2024).
11. Biswas, Arpan, et al. “A dynamic Bayesian optimized active recommender system for curiosity-driven Human-in-the-loop automated experiments.” npj Computational Materials 10.1 (2024).
10. Liu, Yongtao, et al. “Synergizing Human Expertise and AI Efficiency with Language Model for Microscopy Operation and Automated Experiment Design.” arXiv:2401.13803 (2024).
2023
9. Liu, Yongtao, et al. “AEcroscopy: A software-hardware framework empowering microscopy toward automated and autonomous experimentation.” arXiv:2312.10281 (2023).
8. Liu, Yongtao, et al. “Disentangling electronic transport and hysteresis at individual grain boundaries in hybrid perovskites via automated scanning probe microscopy.” ACS Nano (2023).
7. Liu, Yongtao, et al. “Learning the right channel in multimodal imaging: automated experiment in piezoresponse force microscopy.” npj Computational Materials 9.1 (2023): 34.
6. Liu, Yongtao, et al. “Exploring the Relationship of Microstructure and Conductivity in Metal Halide Perovskites via Active Learning-Driven Automated Scanning Probe Microscopy.” The Journal of Physical Chemistry Letters 14.13 (2023): 3352–3359.
5. Liu, Yongtao, et al. “Autonomous scanning probe microscopy with hypothesis learning: Exploring the physics of domain switching in ferroelectric materials.” Patterns 4.3 (2023).
