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cond-mat.mtrl-sci2024★ 1 cited
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
Machine Learning a Universal Harmonic Interatomic Potential for Predicting Phonons in Crystalline Solids
Huiju Lee, Yi Xia
Phonons, as quantized vibrational modes in crystalline materials, play a crucial role in determining a wide range of physical properties, such as thermal and electrical conductivit…