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20242026
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cond-mat.mtrl-sci2026

Autonomous Probe Microscopy with Robust Bag-of-Features Multi-Objective Bayesian Optimization: Pareto-Front Mapping of Nanoscale Structure-Property Trade-Offs

Kamyar Barakati, Haochen Zhu, C Charlotte Buchanan +3

Combinatorial materials libraries are an efficient route to generate large families of candidate compositions, but their impact is often limited by the speed and depth of character…

cond-mat.mtrl-sci2025

Bayesian Co-Navigation of a Computational Physical Model and AFM Experiment to Autonomously Survey a Combinatorial Materials Library

Boris N. Slautin, Kamyar Barakati, Yu Liu +3

Building autonomous experiment workflows requires transcending beyond the data-driven surrogate models to incorporate and dynamically refine physical theory during exploration. Her…

cond-mat.mtrl-sci2025

Accelerated Materials Discovery through Cost-Aware Bayesian Optimization of Real-World Indentation Workflows

Vivek Chawla, Stephen Puplampu, Haochen Zhu +3

Accelerating the discovery of mechanical properties in combinatorial materials requires autonomous experimentation that accounts for both instrument behavior and experimental cost.…

cond-mat.mtrl-sci2025

Morphotropic Phase Boundary (MPB) Induced Enhancement of Ferroelectric and Piezoelectric Properties in Li and Ta modified K0.5Na0.5NbO3

Satyaranjan Sahoo, Dhiren K. Pradhan, Shalini Kumari +9

Lead-free (K0.48Na0.48Li0.04)(Nb1-xTax)O3 (KNLNT-x) ceramics were synthesized to study the effects of Li and Ta substitution on phase transition behavior, microstructure, and ferro…

cond-mat.mtrl-sci2025

Materials Discovery in Combinatorial and High-throughput Synthesis and Processing: A New Frontier for SPM

Boris N. Slautin, Yongtao Liu, Kamyar Barakati +13

For over three decades, scanning probe microscopy (SPM) has been a key method for exploring material structures and functionalities at nanometer and often atomic scales in ambient,…

cond-mat.mtrl-sci2024

Integration of Scanning Probe Microscope with High-Performance Computing: fixed-policy and reward-driven workflows implementation

Yu Liu, Utkarsh Pratiush, Jason Bemis +8

The rapid development of computation power and machine learning algorithms has paved the way for automating scientific discovery with a scanning probe microscope (SPM). The key ele…