Our group is interested in the application of molecular simulations and theory to solve scientific and industrial relevant problems. The methodology we use, based on Statistical Mechanics, provides, not only the macroscopic properties observable experimentally, but also a microscopic view and explanation of the underlying physics governing the processes. This allows, in some cases, quantitative predictions of thermodynamic, structural and transport properties of several systems, saving money and time. In addition, the theoretical tools permit a systematic study of the influence of different, separated effects, on the final behavior of the system.

Modelling Group

Pricipal Investigator

• Dr. Lourdes F. Vega 

Researchers

• Dr. Jordi Faraudo
• Dr. Rosa Marcos (URV)

Phd Students 

• Aurelio Olivet
• Jordi Andreu
• Oriol Vilaseca
• Santiago Builes

Visitors 

• Prof. Maaike Kroon (Delft)
• Abdelkrim Belkadi (Tolousse)

Former Members