{"product_id":"understanding-molecular-simulation-from-algorithms-to-applications-paperback-9780323902922","title":"Understanding Molecular Simulation; From Algorithms to Applications (Paperback \/ softback) 9780323902922","description":"\u003cfont face=\"Georgia\"\u003e\r\n\u003cp\u003e\u003cfont size=\"6\"\u003eUnderstanding Molecular Simulation\u003c\/font\u003e\u003cbr\u003e\r\n\u003cfont size=\"5\"\u003eFrom Algorithms to Applications\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cem\u003eFully updated edition of this key text that supports those involved with studying, developing or applying molecular simulations\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003cp\u003e\u003cfont size=\"4\"\u003eDaan Frenkel (Author), Berend Smit (Author)\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e9780323902922, Elsevier Science\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003ePaperback \/ softback, published 18 July 2023\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e679 pages\u003cbr\u003e22.9 x 15.2 x 4.1 cm, 0.45 kg\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\r\n\u003cp align=\"justify\"\u003e\u003cem\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e\u003cb\u003eFrom the previous edition: \u003c\/b\u003e\"... this book brilliantly lays down the scientific foundations of the simulational approach ...\" \u003cb\u003e--Prof. Kurt Binder in Physics World, 1997\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003e\"... a treasure. The book is a marvellous mix of just enough formalism with an informal and readable style, sufficient detail to understand methodological advances, appropriate mathematics ...\"\u003cb\u003e --Prof. Mark A. Ratner in Physics Today, 1997\u003c\/b\u003e \u003c\/p\u003e\u003c\/font\u003e\u003c\/em\u003e\u003c\/p\u003e\r\n\r\n\u003cp align=\"justify\"\u003e\u003cstrong\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e\u003ci\u003eUnderstanding Molecular Simulation \u003c\/i\u003eexplains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. \u003c\/p\u003e  \u003cp\u003eSince the second edition’s publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed. \u003c\/p\u003e\u003c\/font\u003e\u003c\/strong\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003e\u003cp\u003e1. Introduction\u003c\/p\u003e\n\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart I: Basics\u003c\/p\u003e \u003cp\u003e2. Thermodynamics and Statistical Mechanics\u003c\/p\u003e \u003cp\u003e3. Monte Carlo Simulations \u003c\/p\u003e \u003cp\u003e4. Molecular Dynamics Simulations \u003c\/p\u003e \u003cp\u003e5. Computer Experiments\u003c\/p\u003e\n\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart II: Ensembles\u003c\/p\u003e \u003cp\u003e6. Monte Carlo Simulations in Various Ensembles \u003c\/p\u003e \u003cp\u003e7. Molecular Dynamics in Various Ensembles \u003c\/p\u003e\n\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart III: Free -Energy Calculations\u003c\/p\u003e \u003cp\u003e8. Free Energy Calculations\u003c\/p\u003e \u003cp\u003e9. Free Energies of Solids \u003c\/p\u003e \u003cp\u003e10. Free Energy of Chain Molecules \u003c\/p\u003e\n\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart IV: Advanced Techniques\u003c\/p\u003e \u003cp\u003e11. Long-Ranged Interactions\u003c\/p\u003e \u003cp\u003e12. Configurational Bias Monte Carlo\u003c\/p\u003e \u003cp\u003e13. Accelerating Monte Carlo Sampling \u003c\/p\u003e \u003cp\u003e14. Time-Scale-separation Problems in MD\u003c\/p\u003e \u003cp\u003e15. Rare Events\u003c\/p\u003e \u003cp\u003e16. Mesoscopic Fluid Models\u003c\/p\u003e\n\u003cb\u003e \u003c\/b\u003e\u003cp\u003ePart V: Appendices\u003c\/p\u003e \u003cp\u003eA: Lagrangian and Hamiltonian\u003c\/p\u003e \u003cp\u003eB: Non-Hamiltonian Dynamics\u003c\/p\u003e \u003cp\u003eC: Non-equilibrium Thermodynamics\u003c\/p\u003e \u003cp\u003eD: Smoothed Dissipative Particle Dynamics\u003c\/p\u003e \u003cp\u003eE: Committor for 1-D diffusive barrier crossing\u003c\/p\u003e \u003cp\u003eF: Linear Response Theory: examples\u003c\/p\u003e \u003cp\u003eG: Statistical Errors\u003c\/p\u003e \u003cp\u003eH: Integration Schemes\u003c\/p\u003e \u003cp\u003eI: Saving CPU Time\u003c\/p\u003e \u003cp\u003eJ: Reference States\u003c\/p\u003e \u003cp\u003eK: Statistical Mechanics of the Gibbs \"Ensemble\"\u003c\/p\u003e \u003cp\u003eL: Overlapping Distribution for Polymers \u003c\/p\u003e \u003cp\u003eM: Some General Purpose Algorithms\u003c\/p\u003e\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\u003cp\u003e\u003cfont size=\"3\"\u003eSubject Areas: Quantum \u0026amp; theoretical chemistry [\u003ca title=\"See our other books on Quantum \u0026amp; theoretical chemistry\" href=\"https:\/\/freshlyprintedbooks.co.uk\/search?q=%22Quantum%20\u0026amp;%20theoretical%20chemistry%20%5BPNRP%5D%22\"\u003ePNRP\u003c\/a\u003e]\u003c\/font\u003e\u003c\/p\u003e\r\n\r\n\r\n\u003c\/font\u003e","brand":"Academic Press","offers":[{"title":"Default Title","offer_id":46648127029528,"sku":"9780323902922","price":74.95,"currency_code":"GBP","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0730\/2037\/5320\/products\/9780323902922_cb944c2f-643c-45b9-85dc-9096ceeb77d6.jpg?v=1694993276","url":"https:\/\/freshlyprintedbooks.co.uk\/products\/understanding-molecular-simulation-from-algorithms-to-applications-paperback-9780323902922","provider":"Freshly Printed Books","version":"1.0","type":"link"}