A Novel Approach to Atomistic Molecular Dynamics Simulation of Phenolic Resins Using Symthons

A Novel Approach to Atomistic Molecular Dynamics Simulation of Phenolic Resins Using Symthons

Materials science is beginning to adopt computational simulation to eliminate laboratory trial and error campaigns—much like the pharmaceutical industry of 40 years ago. To further computational materials discovery, new methodology must be developed that enables rapid and accurate testing on accessi...

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Bibliographic Details
Main Authors: Matthew A. Bone, Terence Macquart, Ian Hamerton, Brendan J. Howlin
Format: Article
Language:English
Published: MDPI AG 2020-04-01
Series:Polymers
Subjects:
material simulation
molecular dynamics
intermediate structures
phenolic resins
characterisation
symthons
Online Access:https://www.mdpi.com/2073-4360/12/4/926

Internet

https://www.mdpi.com/2073-4360/12/4/926

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