The fundamental aspects of ab-initio simulations of materials properties and of processes in materials based on density-functional theory, and their implementation at various leve...
We describe a simple coarse-grained model which is suited to study lipid layers and their phase transitions. Lipids are modeled by short semiflexible chains of beads with a solvo...
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. Di...
Alexey Y. Kuksin, Genri E. Norman, Vladimir V. Ste...
Visualization techniques to help understand the structure of carbon and its allotropes have been developed and applied to atomistic simulation projects which model different carb...
Joan Adler, J. Fox, R. Kalish, T. Mutat, A. Sorkin...
We investigate the financial network of the Korea Stock Exchange (KSE) using numerical simulations and scaling arguments. The frequency of degree and the edge density for a real ...