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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Detalhes bibliográficos

Main Authors:	Simone Taioli, Maurizio Dapor, Nicola M. Pugno
Formato:	Online
Idioma:	inglês
Publicado em:	Frontiers Media SA 2021
Assuntos:	TA1-2040 TA401-492 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 thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues::TBX History of engineering and technology
Acesso em linha:	18875
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