8. Conclusion

The scientific public's perception of molecular simulation is changing. The role of full-fledged digital experimenter is increasingly taking shape. The person generating simulations is no longer necessarily the theorist proving his model by working on algorithms, then running them on powerful computers. It is in this sense that modeling becomes simulation. In a way, it is the missing link between experiment and simulation. The three ways of understanding science - simulation, experiment and theory - thus form a scientific triumvirate; a "triummatter" would certainly be more appropriate. The exegesis of its growing position in the worlds of science and industry is multi-layered:

• computational level: increasing computer power ;

• advanced user level: calculation code performance ;

• ...