| Literature DB >> 26874473 |
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.Mesh:
Year: 2016 PMID: 26874473 PMCID: PMC4752541 DOI: 10.1063/1.4940794
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488