Übersicht			Auf mobile öffnen

Lieferstatus:	i.d.R. innert 14-24 Tagen versandfertig
Veröffentlichung:	Juli 2007
Genre:	Naturwissensch., Medizin, Technik
	Atom- und Molekularphysik / Materialwissenschaft / Science / SCIENCE / Chemistry / Physical & Theoretical / SCIENCE / Physics / Atomic & Molecular / TECHNOLOGY & ENGINEERING / Materials Science
ISBN:	9780521852524
EAN-Code:	9780521852524
Verlag:	Cambridge University Press
Einband:	Gebunden
Sprache:	English
Dimensionen:	H 255 mm / B 183 mm / D 21 mm
Gewicht:	846 gr
Seiten:	344
Illustration:	Worked examples or Exercises
Bewertung:	Titel bewerten / Meinung schreiben

Inhalt:

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 for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.