2 papers
cond-mat.mtrl-sci2024
Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Potentials
Huiju Lee, Vinay I. Hegde, Chris Wolverton +1
Phonons play a critical role in determining various material properties, but conventional methods for phonon calculations are computationally intensive, limiting their broad applic…
cond-mat.mtrl-sci2024
Towards Informatics-Driven Design of Nuclear Waste Forms
Vinay I. Hegde, Miroslava Peterson, Sarah I. Allec +11
Informatics-driven approaches, such as machine learning and sequential experimental design, have shown the potential to drastically impact next-generation materials discovery and d…