ロード中...
How machine learning can assist the interpretation of ab initio molecular dynamics simulations and conceptual understanding of chemistry
Molecular dynamics simulations are often key to the understanding of the mechanism, rate and yield of chemical reactions. One current challenge is the in-depth analysis of the large amount of data produced by the simulations, in order to produce valuable insight and general trends. In the present st...
保存先:
| 出版年: | Chem Sci |
|---|---|
| 主要な著者: | , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Royal Society of Chemistry
2018
|
| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6385677/ https://ncbi.nlm.nih.gov/pubmed/30881655 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8sc04516j |
| タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|