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AIChE Journal - 2009 - Maginn - From Discovery To Data What Must Happen For Molecular Simulation To Become A Mainstream PDF

7 Pages·2022·English
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by ['PELINSU DEMIR']| 2022| 7 pages| English

About AIChE Journal - 2009 - Maginn - From Discovery To Data What Must Happen For Molecular Simulation To Become A Mainstream

1) Molecular simulation techniques like molecular dynamics and Monte Carlo have grown significantly in use over the past 30 years but have not become mainstream chemical engineering tools. 2) Molecular simulation can be used for discovery-driven research to explore new phenomena or for data-driven research where accurate predictions are made with little experimental input. 3) For molecular simulation to become a mainstream tool, it needs to be useful, practical and accessible to more researchers. Standardized methods and software could help with this.

Detailed Information

Author:['PELINSU DEMIR']
Publication Year:2022
Pages:7
Language:English
Format:PDF
Price:FREE
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