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About S. C. Farantos Et Al - Grid Enabled Molecular Dynamics: Classical and Quantum Algorithms
This document discusses algorithms for classical and quantum molecular dynamics simulations that could be adapted for grid computing. It summarizes a lecture on using grid environments to study large-scale molecular dynamics problems over long timescales. The document outlines two computational methods - one for quantum molecular dynamics using variable-order finite differences to solve the Schrodinger equation on a grid, and one for classical molecular dynamics finding rare trajectories between phase space regions using multiple shooting techniques. These algorithms are presented as promising for exploiting large distributed computing grids.
Detailed Information
| Author: | ['Maxnamew'] |
|---|---|
| Publication Year: | 2012 |
| Pages: | 16 |
| Language: | English |
| Format: | |
| Price: | FREE |
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