Literature
- Living Journal of Computational Molecular Science – some very good educational and introductory articles
- Michael Allen and Dominic Tildesley, Computer Simulation of Liquids, Oxford University Press, 2017
- Daan Frenkel and Berend Smit, Understanding Molecular Simulation: from Algorithms to Applications, Elsevier, 2001
- David Landau and Kurt Binder. A Guide to Monte Carlo Simulations in Statistical Physics, Cambridge University Press, 2014
Software & Programming
- HOOMD-blue is a general purpose simulation toolkit for coarse-grained simulations
- LAMMPS is a molecular dynamics simulator, example polymer tutorial
- OVITO and VMD are simulation trajectory visualizers
- Python: Matplotlib, NumPy, and SciPy
Misc
- Ten rules for better figures
- blog for better scientific posters
- Lab wiki