StatThLab @ UniMib
Codes for the Statistical Thermodinamics Lab at UniMib [2016/17]
Literally my first MD&MC codes, and it shows, it really does. One day I'll take the time to reorganize things quite a bit, for the love of aesthetics. Efficiency it's not a concern and frankly never will: it's matlab afterall!
Let's clarify that:
- MD stands for Molecular Dynamics;
- MC stands for Monte Carlo.
The course/lab focused on using these two popular techniques to tackle a standard ---yet challenging, cause multiscale in nature--- solid state problem: the fil rouge being Ag adatoms drifting over fcc silver 100 and 111 surfaces, the MD simulations are meant to investigate the detailed short time-scale dynamics while the MC statistics model surface diffusion in the long time-scale, according to Transition State Theory (TST, ref. to J. Phys. Chem. 1996, 100, 31, 12771–12800).
All the code is unlicensed. You can do whatever you want, for it is effectively on public domain. Further details on the LICENSE file.