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A Practical Introduction to the Simulation of Molecular Systems
Martin J. Field
€ 145.83
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Description for A Practical Introduction to the Simulation of Molecular Systems
hardcover. Updated edition introducing a wide-range of techniques for the simulation of molecular systems at the atomic level. Employs Python. Num Pages: 344 pages, 26 exercises. BIC Classification: PHM; UGK. Category: (P) Professional & Vocational. Dimension: 255 x 183 x 21. Weight in Grams: 846.
Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules ... Read more
Molecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules ... Read more
Product Details
Format
Hardback
Publication date
2007
Publisher
Cambridge University Press United Kingdom
Number of pages
344
Condition
New
Number of Pages
344
Place of Publication
Cambridge, United Kingdom
ISBN
9780521852524
SKU
V9780521852524
Shipping Time
Usually ships in 7 to 11 working days
Ref
99-12
About Martin J. Field
Martin J. Field is Group Leader of the Laboratoire de Dynamique Moléculaire at the Institut de Biologie Structurale - Jean-Pierre Ebel, Grenoble. He was awarded his PhD in quantum chemistry from the University of Manchester, UK, in 1985. His areas of research include using molecular modeling and simulation techniques to study biological problems more specifically, his current interests are in ... Read more
Reviews for A Practical Introduction to the Simulation of Molecular Systems
Review of the first edition: 'This text straddles the boundary between theory and experiment … Martin Field's book is aimed at the novice user who is likely to be a graduate student or researcher in computational chemistry or biophysics. The provision of example programs ensures that readers should achieve a reasonable understanding of how simulations are performed and how the ... Read more