At ENEA novel molecular modelling applications for cutting costs of industrial development

Molecular modelling applications range from innovative photovoltaics to sensoristics, from microelectronics to the development of novel drugs, just to mention a few. This cross-cutting field of research allows the computational design and characterization of novel materials and complex molecules with high industrial impact.

This was the key topic at the Workshop on CMAST, the ENEA virtual laboratory on molecular modelling exploiting the potential of its CRESCO supercomputer.

CMAST is a virtual lab platform with a win-win approach, in which ENEA serves as an aggregation point to share resources and infrastructures for the resolution of application issues.

A system of excellence in which research and industry mutually reinforce each other, mandatory requirements to have a greater impact in Horizon 2020, whose latest program promotes and supports modelling more than in the previous years.

The companies attending the Workshop confirmed the technological validity of the current modelling methods, underlying the strategic importance of designing new materials for organic photovoltaics and sensoristics and fuels for the next-generation of space launch vehicles, and the advantages of reducing the time and cost of implementing products.

ENEA is currently involved in drug design, i.e. the creation of novel drugs, graphene growth, biological glues for microelectronics, steel corrosion phenomena, storage of hydrogen, photovoltaics and molten salts as heat transfer fluids in the thermodynamic solar sector.

For more information please contact:

Massimo Celino, Technical Unit for Material Technologies, ENEA Casaccia Research Center