New Frontiers in Multiscale Modelling of Advanced Materials

• Auteur principal: Simone Taioli (auth)
• Autres auteurs: Maurizio Dapor (auth), Nicola M. Pugno (auth)
• Format: Électronique Chapitre de livre
• Langue: anglais
• Publié: Frontiers Media SA 2016
• Collection: Frontiers Research Topics
• Sujets: History of engineering & technology; 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
• Accès en ligne: DOAB: download the publication; DOAB: description of the publication

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...