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Computing inelastic neutron scattering spectra from molecular dynamics trajectories
Inelastic neutron scattering (INS) provides a weighted density of phonon modes. Currently, INS spectra can only be interpreted for perfectly crystalline materials because of high computational cost for electronic simulations. INS has the potential to provide detailed morphological information if suf...
Gorde:
| Argitaratua izan da: | Sci Rep |
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| Egile Nagusiak: | , , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Nature Publishing Group UK
2021
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8041884/ https://ncbi.nlm.nih.gov/pubmed/33846390 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-021-86771-5 |
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