Statistical Mechanics and Computer Simulation of Liquids and Solids
PRINCIPAL INVESTIGATOR: Jose Luis Fernández Abascal and Carlos Vega de Heras
GENERAL RESEARCH OBJECTIVE OF THE GROUP
We use computer simulation techniques, with programs and models of our own design, to study different aspects related to the conformational analysis and the dynamics of macromolecular systems: folding and aggregation of globular proteins, polymeric systems with non-linear geometry (rings and hyper-ramified systems), polymer and protein systems in contact with interfaces, etc.
LINES OF THE RESEARCH GROUP AND RESPONSIBLE RESEARCHER
- Force fields for water and electrolytes
- Computer simulation of water and ices
- Supercooled water: Nucleation of ice and of simple molecules