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