Can I read MolSim 39 2013 on EtoBox?
MolSim 39 2013 by Mike Bloom is a document available to read on EtoBox.
What is MolSim 39 2013 about?
The document presents a new canonical–isokinetic ensemble for enhancing molecular dynamics (MD) simulations, specifically through the optimised isokinetic Nosé–Hoover (OIN) chain algorithm. This method allows for larger outer time steps in MD simulations, significantly improving computational efficiency, particularly for complex systems like biomolecules in solvent environments. The proposed multiscale algorithm integrates solvation theory to accurately model interactions and dynamics, demonstrating substa
- Author
- Mike Bloom
- Language
- EN