85305 - Multiscale Modeling

Learning outcomes

The successful student is provided with theoretical fundaments and computational tools to address problems that exhibit critical features at multiple scales of time or space. At the end of the hands-on lab students are able to apply computer simulation to solve simple modeling and molecular dynamics problems.

Course contents

• Introduction to computational models and simulation
• The concept of equilibirum in mechanics and thermodynamics
• Potential energy functions and thermodynamic potentials
• The role of entropy in molecular processes
• The Boltzmann distribution
• Lattice models
• Two-state models
• Continuum models
  
• Atomistic models
  
• Molecular Dynamics simulations
• Coarse-grained models
  
• Fundamentals of multiscale modeling
• Discussion of case studies from scientific literature

Readings/Bibliography

Reading material provided by the teacher during the lectures.

Rob Phillips, Jane Kondev, Julie Theriot, Hernan Garcia. Physical Biology of the Cell, 2nd edition, 2013, Garland Science, Taylor & Francis Group.

Teaching methods

Frontal lectures and training exercises on the computer with the support of tutors.

In consideration of the type of activity and the teaching methods adopted, the attendance of this training activity requires the prior attendance of all students to the training Modules 1 and 2 on safety in the study places, in e-learning mode.

Assessment methods

Students will be evaluated based on:

• achievement of tasks assigned during the hands-on lab
• questions inherent to the whole course contents (frontal lectures and laboratory exercises)

Teaching tools

Electronic slides, scientific papers, and other teaching materials available through the platform Virtual Learning Environment.

Office hours

See the website of Matteo Masetti