Chapter 10 - Simulation Schemes, Softwares, Lab Practice and Applications

The focus of this chapter is to study methods, skills and applications of atomistic simulation. Accompanying to this Chapter a Computational Simulation Laboratory Infrastructure (CSLI) is constructed which can be downloaded* and used for lab practice. CSLI contains 12 UNITS which is with one-to-one correspondence to the 12 Sections of this Chapter. They are separated into three parts:

Each UNIT in CSLI contains files for computer simulation and the corresponding section describes the simulation processes operated in that UNIT. This chapter is written with a style which can be used both for laboratory class of computational simulation and self-learning text of readers at different levels.

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