Scientific Program

Invited Speakers 

Prof. Dr. Michele Cascella, Department of Chemistry, University of Oslo, Norway, michele.cascella@kjemi.uio.no
Prof. Dr. Giuseppe Milano, Department of Chemistry and Biology, University of Salerno, Italy, gmilano@unisa.it
Dr. Hima Bindu Kolli, Department of Chemistry, University of Oslo, Norway, h.b.kolli@kjemi.uio.no

Schedule

Monday - Fundaments of MD

Lecture 1: Introduction to Molecular Dynamics - Basic theory and algorithms
Lecture 2: Computational feasibility of MD simulations - Algorithms for reducing costs (SHAKE, Pair-listing etc)
Practical 1: Modelling biomembranes at different resolutions: Atomistic models of membranes

Tuesday - From Atomistic to Coarse Grained models

Lecture 3: Treatment of electrostatics in MD simulations (Ewald summation, Fast multipoles, …)
Lecture 4: Introduction to Coarse graining - Main ideas and mapping schemes
Practical 2: Modelling biomembranes at different resolutions: Coarse-grained models of membranes

Thursday - Basic CG models for soft matter and biological polymers

Lecture 5: Iterative Boltzmann Inversion, Force matching
Lecture 6: Elastic network models for proteins
Practical 3: Modelling biomembranes at different resolutions: Particle-particle Vs. particle-field simulations

Friday - From Particles to Fields

Lecture 7: Fundaments of statistical field theory

Lecture 8: The Particle - Field approach
Practical 4: Modelling biomembranes at different resolutions: Particle-field + electrostatics

Saturday - Research applications

Lecture 9: Electrostatic models of proteins

Lecture 10: Particle field simulations of membranes