2 papers
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…
cond-mat.mtrl-sci2024
Deciphering Chemical Ordering in High Entropy Materials: A Machine Learning-Accelerated High-throughput Cluster Expansion Approach
Guillermo Vazquez, Daniel Sauceda, Raymundo Arróyave
The Cluster Expansion (CE) Method encounters significant computational challenges in multicomponent systems due to the computational expense of generating training data through den…