Simulation of biomembranes over length and time scales relevant to cellular biology is not currently feasible with molecular dynamics including full atomic detail. Barring an unfo...
Abstract— This paper introduces the optimization of a Quantum Control application, the so-called molecular alignment problem, subject to a dynamic environment. Given the relative...
1 Biological processes occurring inside cell involve multiple scales of time and length; many popular theoretical and computational multi-scale techniques utilize biomolecular simu...
Melting front velocity dependencies on temperature are calculated using the molecular-dynamics method for the EAM models of Al and Fe as well as for the Lennard-Jones system. Diï¬...
Alexey Y. Kuksin, Genri E. Norman, Vladimir V. Ste...
In recent years, there has been increasing interest in computational models of biological systems based on various calculi of communicating processes, such as the stochastic pi-ca...