Data · dataset · 2018
Implementing Harmonically Mapped Averaging Methods on Popular Molecular Simulation Platforms
Listed in DataCite
Mapped averaging is a new framework for statistical mechanics that prescribes ways to compute properties with high precision.
Description
Our project aims to implement these methods on popular molecular simulation codes so that the larger community of molecular modelers can make use of this advance.
Links
Where it is published
- Repository landing page figshare.com/articles/Implementing_Harmonically_Mapped_Averaging_Methods_on… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.6167906.v2 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 2
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.6167906.v2 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.6167906.v2 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Chemical engineering · Chemical sciences · Mechanical engineering
- Inferred from text
- Simulation 75% · Statistical mechanics in chemistry 76%
Provenance · 1 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.6167906.v2 | 15 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].anzsrc:field:340703 | enrichment · DataCite | taxonomy-embedding@1.1.0 | title+keywords+description (76%) |
| concepts[field].fos:chemical-engineering | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:chemical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:mechanical-engineering | source · DataCite | connector:datacite@1.0.0 | |
| concepts[method].local:method:simulation | enrichment · DataCite | keyword-concept-rules@1.0.0 | title+description (75%) |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |