Program

Generic program draft: Scientific committee is still organizing the lecturer contributions and the program structure.

27

Monday 

● Welcome and Registration
● School Presentation
● Lecture Aatto Laaksonen: 

   A panorama of applications and advanced experiments
● Lecture Dario Estrin: 

   An overlook to classical modelling techniques, from ab initio to               hierarchical and multi-scale
Cocktail and Lunch
● Poster presentation and session
Coffee break
● Tutorial Enrico Pieroni, Maria Valentini, Santiago di Lella:

    Introduction  to linux and scripting
● Tutorial Francesca Mocci, Leon De Villiers Engelbrecht: 

    Modeling and advanced visualization techniques for

    multi-component systems.

28

Tuesday

● Orienteering on the modellistic ground

● Lecture Enrico Pieroni:

   An overview of knowledge based techniques in molecular modeling
● Coffee break
● Lecture Maria Valentini​: 

   Protein engineering for therapeutic purposes.
● Lecture Vincenzo Martorana​:

   Coarse-grained protein modeling and comparison with experiments
● Lunch
● Tutorial Enrico Pieroni, Maria Valentini, Santiago di Lella:

    Introduction  to linux and scripting
● Tutorial Francesca Mocci, Leon De Villiers Engelbrech: 

   Modeling and advanced visualization techniques for multi-                       component systems.
● Coffee break
● Tutorial Enrico Pieroni, Maria Valentini, Santiago di Lella​:

    Introduction to linux and scripting
● Tutorial Francesca Mocci, Leon De Villiers Engelbrecht: 

    Modeling and advanced visualization techniques for

    multicomponent systems.
 

29

Wednesday 

● Lecture Francesco Sciortino​:

   Complex physical systems close to phase transition - part I
● Lecture Claudio Melis:

   Nanomaterials and polymers simulation
Coffee break
● Lecture Santiago Di Lella:

   Protein dymerization and receptor-membrane modeling
● Lecture Francesca Mocci:

   Multiscale modeling in biological problems
Lunch
● Tutorial Claudio Melis:

    Metadynamics and first principle simulations of structural,                      transport, elastic, thermal and viscous-elastic properties
● Tutorial Dario Estrin:

    QM and MM methods
Coffee break
● Tutorial Claudio Melis:

    Metadynamics and first principle simulations of structural,                      transport, elastic, thermal and viscous-elastic properties
● Tutorial Dario Estrin:

    QM and MM methods

30

Thursday

● Lecture Amit Kumar:

    Modeling Tools in drug discovery
● Lecture Constanze Kalcher, OVITO GmbH i Gr.

    Lecture Coarse-grained simulation studies on ordered structure            formation in polymer systems
Coffee break
●  Lecture Coarse-grained simulation studies on ordered structure             formation in polymer systems
●  Lecture Aatto Laaksonen:

    Molecular data analysis and the importance of visualization in                complex systems.
Lunch
● Tutorial Amit Kumar:

    Docking and Molecular Dynamics
Tutorial Coarse grained simulations
Coffee break
● Tutorial Amit Kumar:

    Docking and Molecular Dynamics
●  Tutorial Coarse grained simulations
●  Social Dinner

31

Friday 

● Lecture Francesca Spyrakis:

   Drug design of pharmacological molecules
● Lecture Giancarlo Cappellini:

   Modeling optoelectronic properties  and applications to material           science and sensors
Coffee break
● Lecture Francesco Sciortino:

   Complex physical systems close to phase transition - part II
Lunch
● Tutorial Giancarlo Cappellini, Roberto Cardia:

    Simulation of molecular optoelectronic properties
● Tutorial Enrico Pieroni, Maria Valentini:

    Knowledge Based methods in molecular modeling
Coffee Break
● Tutorial Enrico Pieroni, Maria Valentini:

    Knowledge Based methods in molecular modeling
●  Best poster award
●  School closure

Tutorials in the afternoon will be run in parallel, according to biological or material science focus, in order to have classrooms of about 15 students.