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20242026
most citedIllustrating an Effective Workflow for Accelerated Materials Discovery

13 citations · 22 across the 10 of their papers we have counts for

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Showing 2025Show all

5 papers · 1 filter

cond-mat.mtrl-sci2025

Deep Gaussian Process-based Cost-Aware Batch Bayesian Optimization for Complex Materials Design Campaigns

Sk Md Ahnaf Akif Alvi, Brent Vela, Vahid Attari +4

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast, nonlinear design spaces while judiciously allocating…

cond-mat.mtrl-sci2025

Data Driven Insights into Composition Property Relationships in FCC High Entropy Alloys

Nicolas Flores, Daniel Salas Mula, Wenle Xu +15

Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of…

cs.LG2025

Accurate and Uncertainty-Aware Multi-Task Prediction of HEA Properties Using Prior-Guided Deep Gaussian Processes

Sk Md Ahnaf Akif Alvi, Mrinalini Mulukutla, Nicolas Flores +6

Surrogate modeling techniques have become indispensable in accelerating the discovery and optimization of high-entropy alloys(HEAs), especially when integrating computational predi…

cond-mat.mtrl-sci2025★ 5 cited

Mapping of Microstructure Transitions during Rapid Alloy Solidification Using Bayesian-Guided Phase-Field Simulations

José Mancias, Brent Vela, Juan Flórez-Coronel +4

This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies und…

eess.SY2025★ 1 cited

Towards Autonomous Experimentation: Bayesian Optimization over Problem Formulation Space for Accelerated Alloy Development

Danial Khatamsaz, Joseph Wagner, Brent Vela +2

Accelerated discovery in materials science demands autonomous systems capable of dynamically formulating and solving design problems. In this work, we introduce a novel framework t…