Direct Prediction of Phonon Density of States With Euclidean Neural Networks
Sign Up to like & getrecommendations! Published in 2021 at "Advanced Science"
DOI: 10.1002/advs.202004214
Abstract: Abstract Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction. The challenge is aggravated… read more here.
Keywords: direct prediction; phonon density; density states; prediction phonon ... See more keywords
Density functional LCAO calculations of vibrational modes and phonon density of states in the strained single-layer phosphorene
Sign Up to like & getrecommendations! Published in 2020 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2020.147033
Abstract: Abstract The paper presents an investigation of phosphorene under axial strain on the phonon density of states and vibrational modes. The studies were performed by means of density functional theory (DFT) within the linear combination… read more here.
Keywords: phonon density; density functional; density states; density ... See more keywords