“…All things are made of atoms—little particles that move around in perpetual motion, attracting each other when they are a little distance apart, but repelling upon being squeezed into one another…” (Feynman, 1995).
Remarkably, we can accurately compute “big” macroscopic properties from “small” simulations, starting to consider interactions of just two, three, four, etc. atoms arriving to study complex structures composed by millions of atoms. In order to reach this goal some simplifications are need. Molecular Dynamics (MD) simulation, which involves solving the classical many-body problem allows the prediction of properties of substances directly from the underlying interactions between the molecules. After a general introduction of the theory implemented in a general MD program recent examples explored by the Biomechanics Group within the DEIB department will be discussed.

The NECSTLab is a DEIB laboratory, with different research lines on advanced topics in computing systems: from architectural characteristics, to hardware-software codesign methodologies, to security and dependability issues of complex system architectures. 

Every week, the "NECST Friday Talk" invites researchers, professionals or entrepreneurs to share their work experiences and projects they are implementing in the "Computing Systems".