title: Perspective: Computer simulations of long time dynamics.
abstract: Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances.
authors.affiliation: Department of Chemistry, The Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712, USA.
authors.forename: Ron
authors.initials: R
authors.lastname: Elber
mesh_terms: D007700:Kinetics; D056004:Molecular Dynamics Simulation