内容丰富，以提问的形式，后含练习题及其参考大案。

Diffusion of oxygen to the binuclear center studied by molecular dynamics simulations,此素材为mov格式，须QuickTime播放器播放。

Necessary Background of Statistical Physics (2) when the velocity of the center of mass is fixed to zeroKinetic energy

Molecular dynamics for continuous potentials Short history: The first MD simulation for a system interacting with a continuous potential (Lennard-Jones potential) was carried out by A. Rahman in1964. A. Rahman, Phys. Rev. 136, A405, (1964). Main differences between MD with continuous poentials and

Monte Carlo Integration Hit and miss method:Algorithm: （ 1) generate N uniform random numbers, (i=1, 2,..., N), on(a,b) and N uniform random numbers, (i=1, 2,..., N), on (0,c); （2) calculate g() and count the number of cases, Nhit for whichg() （3)I can be estimated by

How to analyse the errors of simulation results? Sustematic errors: Possible sources. 'poor equilibration; bad random number generator; 'system size effect. Practical method for detecting systematic errors: -longer simulation, different initial configurations; test random number generator, use different generators; simulation with larger systems

Definitions What is Systems Engineering? the ensemble of coordinated analyses, simulations, and processes which lead to a technical product which best meets the needs of an identified customer What does it mean to manage systems engineering?