November 17, 3:30 pm, Aula Touschek, Department of Physics Prof Antonio Scala - SMC Roma1 Simulating hard rigid bodies October 25, 3:30 pm, Aula Touschek, Department of Physics Prof Marek Cieplak - Polish Academy of Science Nanoscale fluid flows in the vicinity of patterned surfaces Prof Stefano Ruffo - Universita` di Firenze Dinamica lenta in sistemi con interazioni a lungo raggio Prof Giuseppe Suffritti - Universita` di Sassari Modelling the diffusion in microporous materials: examples and challenges Prof Giancarlo Jug - Università dell'Insubria Why are window-glasses sensitive to weak magnetic fields at low temperatures? Dr Emanuele Paci - Leeds University From peptide conformation to protein translocation in vivo: What can we learn from simulating simple models? Dott Andrea Ricci - Johannes Gutenberg Universitaet, Mainz Elastic properties and Structures for 2-d model collisions in confined geometry
Hard rigid bodies are a reference system to understand the properties of molecular fluids, especially regarding the steric effects. Nevertheless, apart the case of hard spheres systems, there are no general recipes for Monte Carlo or Event Driven Molecular Dynamics simulations. We introduce a new algorithm to calculate the distance between two convex surfaces. Building up on such result, we introduce a new event-driven (ED) molecular dynamics algorithm for simulating systems of hard convex bodies. In order to optimize collision detection between elongated objects, we introduce a new nearest-neighbour list based on oriented bounding parallelepipeds. We show in detail algorithm's efficiency simulating a system of hard ellipsoids of revolution (HE) and discuss the possible applications of our new techniques in various scientific and technological fields.
October 12, 3pm, Aula Conversi, Department of Physics
October 9, 12 am, Aula Touschek, Department of Physics
May 8
April 12
January