Speeding up electrostatic computations for molecular dynamics
Molecular dynamics (MD) simulations are routinely used to study the structure and function of biological molecules. However the accuracy and duration of these simulations are constrained by their computational costs, thus limiting the ability to accurately simulate systems of realistic sizes over bi...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | Others |
| Published: |
Virginia Tech
2014
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/10919/40262 http://scholar.lib.vt.edu/theses/available/etd-10262011-175507/ |