Output details
15 - General Engineering
Aston University
Computational mechanics of molecular systems : quantifying high-dimensional dynamics by distribution of Poincaré recurrence times
This paper is the result of 9 years work across several projects. It links three fundamental areas of research: liquid state molecular dynamics, statistical theory of complex systems, and non-linear dynamics and chaos. The challenge was to connect these very diverse fields. The published work led to the award of €1.2M project (funded by G8 Research Councils Initiative on Multilateral Research Funding). This enabled collaboration with RIKEN Advanced Institute for Computational Science in Japan, and use of their K-computer (at the time the world's fastest computer) facilitating fundamental new results.