New Frontiers in Multiscale Modelling of Advanced Materials

New Frontiers in Multiscale Modelling of Advanced Materials

Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended material...

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Bibliographic Details
Main Author: Simone Taioli (auth)
Other Authors: Maurizio Dapor (auth), Nicola M. Pugno (auth)
Format: Book Chapter
Published: Frontiers Media SA 2016
Subjects:
molecular dynamics simulations
Classical and Quantum Monte Carlo methods
ab-initio
macromolecular complex
Materials characterization
Multiscale and Hierarchical modeling
mechanical
Electronic and optical properties of solids
Carbon-based systems
materials growth
Density-functional
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