Atomistic computer simulations : a practical guide /

• Κύριος συγγραφέας: Brázdová, Veronika
• Άλλοι συγγραφείς: Bowler, D. R. (David R.)
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Weinheim : Wiley-VCH, [2013]
• Θέματα: Atoms > Computer simulation.; Molecular dynamics > Computer simulation.; Atoms.; Molecules.; SCIENCE > Physics > Nuclear.; Electronic books.

This introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a...

Πίνακας περιεχομένων:

• pt. 1. The world at the atomic scale
• pt. 2. Introducing equations to describe the system
• pt. 3. Describing interactions between atoms
• pt. 4. Setting up and running the calculation
• pt. 5. Analyzing results.