The Avogadro Challenge

Abstract

The Avogadro number, which had been considered as a synonym of infinity, is now becoming a big, but finite and reacheable number using high-performance computers realizing now. For example, the K computer in Kobe recorded faster than 10 PFLOPS (10^<16> arithmetic operations per second) , therefore 1 mol operations are achieved if one use it for two years, one of big challenges of such "Avogadro-scale" computer will naturally be in a statistical physics: a challenge to connect nanoscopic molecules and macroscopic phenomena. Using simple molecular models, equilibrium and linear nonequilibrium phenomena have been reproduced by molecular dynamics simulations. Studies on nonlinear nonequilibrium phenomena have started using systems of sizes of around 1,000^3 now, aiming at reproduction of complex autonomous systems like life using 10,000^3 systems.