Forcefields for Atomistic-Scale Simulations

Materials and Applications

By: Akarsh Verma (Editor), Sanjay Mavinkere Rangappa (Editor), Shigenobu Ogata (Editor), Suchart Siengchin (Editor)

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eText | 19 August 2022

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This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields utilized for characterizing various materials (such as nuclear materials and nanomaterials) and applications. This book gives many help to students and researchers who are studying the forcefield potentials and introduces various applications of atomistic-scale simulations to professors who are researching molecular dynamics.