Molecular dynamics (Wikipedia)
P Comba, T W Hambley, B Martin, Molecular Modeling of Inorganic Compounds (Wiley, 2009), 3ed
K Binder, J Horbach, W Kob, W Paul, F Varnik, Molecular dynamics simulations, JPC 16, S429 (2004)
D C Rapaport, The Art of Molecular Dynamics Simulation (CUP, 2004), 2ed
D Frenkel, B Smit, Understanding Molecular Simulation: From Algorithms to Applications (AP, 2002), 2ed
Computational Biochemistry and Biophysics, ed O M Becker, A D MacKerell Jr, B Roux, M Watanabe (Dekker, 2001)
M Parrinello, A Rahman, Polymorphic transitions in single crystals: A new molecular dynamics method, JAP 52, 7182 (1981)