#25. Stochastic methods in materials simulation


  • Steve Fitzgerald, University of Leeds, UK (s.p.fitzgerald@leeds.ac.uk)
  • Cosmin Marinica, CEA Saclay, France
  • Tom Swinburne, CNRS, CINaM, France


Thermal and quantum mechanical fluctuations control microstructural evolution, and hence govern most macroscopic properties of materials. A quantitative understanding of the complex interplay between stochastic and mechanical forces is therefore essential for modelling materials across the length and time-scales. Moreover, the exploitation of stochastic and statistical processes to perform high efficiency numerical calculations has played a leading role in materials simulations for decades. Despite the sustained interest and many notable successes, fundamental problems remain to be solved, and new avenues of application remain to be explored. This symposium will bring together scientists working in all areas of stochastic theory and simulation, encompassing atomistic, object and event-based kinetic Monte Carlo, Langevin dynamics, stochastic cluster dynamics, and ring-polymer and path integral-based techniques. We invite contributions on advances in simulation techniques and novel applications.

Topics will include (but are not limited to)
• Fundamentals of stochastic processes for materials simulation
• Acceleration techniques for stochastic simulations
• Simulation of materials out of equilibrium
• Multiscale applications of stochastic simulations

Confirmed Keynote Speakers

• Kristen Fichthorn (Penn State University, USA)
• Enrique Martinez (Los Alamos National Laboratory, USA)
• Dallas Trinkle (University of Illinois, USA)