{"product_id":"understanding-molecular-simulation-from-algorithms-to-applications-9780122673511","title":"Understanding Molecular Simulation: From Algorithms to Applications","description":"\u003cp\u003e • Author(s): Daan Frenkel\u003cbr\u003e • Publisher: Academic Press\u003cbr\u003e • Publisher Imprint: Academic Press\u003cbr\u003e • BISAC: Physics - Quantum Theory\u003c\/p\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003ci\u003eUnderstanding Molecular Simulation: From Algorithms to Applications\u003c\/i\u003e explains the physics behind the \"recipes\" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.\u003c\/p\u003e \u003cp\u003eSince the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on: \u003c\/p\u003e \u003cul\u003e\n\u003cli\u003eTransition path sampling and diffusive barrier crossing to simulaterare events\u003c\/li\u003e\n\u003cli\u003eDissipative particle dynamic as a course-grained simulation technique\u003c\/li\u003e\n\u003cli\u003eNovel schemes to compute the long-ranged forces\u003c\/li\u003e\n\u003cli\u003eHamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations\u003c\/li\u003e\n\u003cli\u003eMultiple-time step algorithms as an alternative for constraints\u003c\/li\u003e\n\u003cli\u003eDefects in solids\u003c\/li\u003e\n\u003cli\u003eThe pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules\u003c\/li\u003e\n\u003cli\u003eParallel tempering for glassy Hamiltonians\u003c\/li\u003e\n\u003c\/ul\u003e \u003cp\u003eExamples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.\u003c\/p\u003e","brand":"Academic Press","offers":[{"title":"Hardcover","offer_id":45049145032855,"sku":"9780122673511","price":10428.0,"currency_code":"INR","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0666\/3471\/1191\/files\/9780122673511.webp?v=1767262818","url":"https:\/\/atlanticbooks.com\/products\/understanding-molecular-simulation-from-algorithms-to-applications-9780122673511","provider":"Atlantic Books","version":"1.0","type":"link"}