Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

H.M. Aktulga, J.C. Fogarty, S.A. Pandit, A.Y. Grama
2012 Parallel Computing  
Molecular dynamics modeling has provided a powerful tool for simulating and understanding diverse systems -ranging from materials processes to biophysical phenomena. Parallel formulations of these methods have been shown to be among the most scalable scientific computing applications. Many instances of
doi:10.1016/j.parco.2011.08.005 fatcat:z6rvynvrbra7dmqtn3w52wcnoa