430 citations · 1.7k across the 114 of their papers we have counts for
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Automated Materials Discovery Platform Realized: Scanning Probe Microscopy of Combinatorial Libraries
Yu Liu, Aditya Raghavan, Utkarsh Pratiush +13
Combinatorial materials libraries provide a powerful platform for mapping how physical properties evolve across binary and ternary cross-sections of multicomponent phase diagrams.…
Reward driven workflows for unsupervised explainable analysis of phases and ferroic variants from atomically resolved imaging data
Kamyar Barakati, Yu Liu, Chris Nelson +4
Rapid progress in aberration corrected electron microscopy necessitates development of robust methods for the identification of phases, ferroic variants, and other pertinent aspect…
Predicting Battery Capacity Fade Using Probabilistic Machine Learning Models With and Without Pre-Trained Priors
Michael J. Kenney, Katerina G. Malollari, Sergei V. Kalinin +1
Lithium-ion batteries are a key energy storage technology driving revolutions in mobile electronics, electric vehicles and renewable energy storage. Capacity retention is a vital p…
Measurements with Noise: Bayesian Optimization for Co-optimizing Noise and Property Discovery in Automated Experiments
Boris N. Slautin, Yu Liu, Jan Dec +4
We have developed a Bayesian optimization (BO) workflow that integrates intra-step noise optimization into automated experimental cycles. Traditional BO approaches in automated exp…
Evolution of ferroelectric properties in SmxBi1-xFeO3 via automated Piezoresponse Force Microscopy across combinatorial spread libraries
Aditya Raghavan, Rohit Pant, Ichiro Takeuchi +6
Combinatorial spread libraries offer a unique approach to explore evolution of materials properties over the broad concentration, temperature, and growth parameter spaces. However,…
Bayesian Co-navigation: Dynamic Designing of the Materials Digital Twins via Active Learning
Boris N. Slautin, Yongtao Liu, Hiroshi Funakubo +3
Scientific advancement is universally based on the dynamic interplay between theoretical insights, modelling, and experimental discoveries. However, this feedback loop is often slo…
Multiscale structure-property discovery via active learning in scanning tunneling microscopy
Ganesh Narasimha, Dejia Kong, Paras Regmi +4
Atomic arrangements and local sub-structures fundamentally influence emergent material functionalities. The local structures are conventionally probed using spatially resolved stud…
Building Workflows for Interactive Human in the Loop Automated Experiment (hAE) in STEM-EELS
Utkarsh Pratiush, Kevin M. Roccapriore, Yongtao Liu +3
Exploring the structural, chemical, and physical properties of matter on the nano- and atomic scales has become possible with the recent advances in aberration-corrected electron e…
Co-orchestration of Multiple Instruments to Uncover Structure-Property Relationships in Combinatorial Libraries
Boris N. Slautin, Utkarsh Pratiush, Ilia N. Ivanov +6
The rapid growth of automated and autonomous instrumentations brings forth an opportunity for the co-orchestration of multimodal tools, equipped with multiple sequential detection…
Active Deep Kernel Learning of Molecular Properties: Realizing Dynamic Structural Embeddings
Ayana Ghosh, Maxim Ziatdinov, Sergei V. Kalinin
As vast databases of chemical identities become increasingly available, the challenge shifts to how we effectively explore and leverage these resources to study molecular propertie…
Towards accelerating physical discovery via non-interactive and interactive multi-fidelity Bayesian Optimization: Current challenges and future opportunities
Arpan Biswas, Sai Mani Prudhvi Valleti, Rama Vasudevan +2
Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often non-differentiable parameter spaces, such as phase diagrams…