High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications

Autor:	Alexander Goldberg, Thomas F. Hughes, David J. Giesen, Jacob Gavartin, Andrea R. Browning, Tsuguo Morisato, Mohammad Atif Faiz Afzal, Mathew D. Halls, Joseph E. Goose
Rok vydání:	2020
Předmět:	chemistry.chemical_classification Molecular dynamics Polymers and Plastics chemistry Computer science Process Chemistry and Technology Organic Chemistry Graphics processing unit Polymer Throughput (business) Computational science
Zdroj:	ACS Applied Polymer Materials. 3:620-630
ISSN:	2637-6105
Popis:	Recent advances in graphics processing unit (GPU) hardware and improved efficiencies of atomistic simulation programs allow for the screening of a large number of polymers to predict properties tha...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8e2a18234230697f8c35beabbdfc6b5c https://doi.org/10.1021/acsapm.0c00524 Zobrazit plný text záznamu