- Tytuł:
- Predicting Spin-Dependent Phonon Band Structures of HKUST-1 Using Density Functional Theory and Machine-Learned Interatomic Potentials.
- Autorzy:
- Źródło:
- International journal of molecular sciences [Int J Mol Sci] 2024 Mar 05; Vol. 25 (5). Date of Electronic Publication: 2024 Mar 05.
- Typ publikacji:
- Journal Article
- MeSH Terms:
-
Metal -Organic Frameworks *
Density Functional Theory ; Phonons ; Algorithms
Czasopismo naukowe