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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Theoretical Foundations of Multiscale Modelling

Theoretical Foundations of Multiscale Modelling

Cascella, Michele
Potestio, Raffaello

Paperback

Chemistry

ISBN10: 0323884407
ISBN13: 9780323884402
Publisher: Elsevier
Published: Jun 13 2025
Pages: 374
Weight: 1.25
Height: 0.80 Width: 6.00 Depth: 9.00
Language: English

Multiscale modelling approaches can provide valuable insight to researchers across a broad range of fields. At the same time, the interdisciplinary applicability of these approaches means that both new learners and experienced researchers may not have a clear understanding of the theoretical and computational fundamentals underpinning these methods. Theoretical Foundations of Multiscale Modelling aims to address this knowledge gap, providing a clear insight to the thermodynamical and statistical mechanical foundations of methods commonly employed, and highlighting the potential and limitations of each approach.

Starting with an overview of the basics of statistical mechanics, the first chapters of the book illustrate the general theory of molecular modelling, the concepts and methods for the study of complex molecular systems, then progressing to cover key strategies employed to perform computational calculations and simulations. The second part of the book reviews how the most recent, cutting-edge tools of the trade are used in practice through a selection of case studies highlighting multiscale modelling, multiple resolution simulation methods, and machine-learning applications. This is also achieved by presenting case studies from recent scientific literature, highlighting the advantages of a multiscale treatment for the understanding of complex molecular phenomena.

Drawing on the experience of its authors, Theoretical Foundations of Multiscale Modelling is an insightful guide for all those learning, applying, or interested in exploring multiscale modelling methods for their work.

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