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cond-mat.mtrl-sci2026
A BRAVE Alloy Design Campaign (Bayesian Risk-aware Alloy discoVery and Exploration)
Mrinalini Mulukutla, Danial Khatamsaz, Trevor Hastings +23
In constrained alloy optimization, the compositions with the highest performance potential often reside at the boundary of phase stability -- where the risk of experimental failure…
cond-mat.mtrl-sci2025
Accelerated Multi-Objective Alloy Discovery through Efficient Bayesian Methods: Application to the FCC Alloy Space
Trevor Hastings, Mrinalini Mulukutla, Danial Khatamsaz +14
This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material…
cond-mat.mtrl-sci2024
Illustrating an Effective Workflow for Accelerated Materials Discovery
Mrinalini Mulukutla, A. Nicole Person, Sven Voigt +26
Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, c…