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Understanding Molecular Simulation

- From Algorithms to Applications
Af: Daan Frenkel, Berend Smit Engelsk Paperback

Understanding Molecular Simulation

- From Algorithms to Applications
Af: Daan Frenkel, Berend Smit Engelsk Paperback
Tjek vores konkurrenters priser

Understanding Molecular Simulation explains 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.

Since 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.

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Understanding Molecular Simulation explains 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.

Since 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.

Produktdetaljer
Sprog: Engelsk
Sider: 679
ISBN-13: 9780323902922
Indbinding: Paperback
Udgave: 3
ISBN-10: 0323902928
Udg. Dato: 18 jul 2023
Længde: 42mm
Bredde: 230mm
Højde: 156mm
Forlag: Elsevier Science & Technology
Oplagsdato: 18 jul 2023
Forfatter(e): Daan Frenkel, Berend Smit
Forfatter(e) Daan Frenkel, Berend Smit


Kategori Atom- & Molekylær fysik


ISBN-13 9780323902922


Sprog Engelsk


Indbinding Paperback


Sider 679


Udgave 3


Længde 42mm


Bredde 230mm


Højde 156mm


Udg. Dato 18 jul 2023


Oplagsdato 18 jul 2023


Forlag Elsevier Science & Technology

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