摘要：
Direct simulation with Molecular Dynamics (MD) is an extremely powerful tool to shed light on the atomistic behaviors that control many of the properties of materials. The predictive power of MD however comes at a steep computational price, limiting the system sizes and simulation times that can be achieved in practice. While the size limitation can be efficiently addressed with massively parallel computers, the same approach cannot extend the timescales much beyond microseconds. I will discuss an alternative, parallel-in-time, strategy – the Parallel Replica Dynamics (ParRep) method – that aims at addressing the timescale limitation of MD for systems that evolve through rare state-to-state transitions. I will review the theoretical foundations of the method and demonstrate its usefulness by reviewing different examples of mate rials simulations where access to long timescales (up to 10,000 times longer than with MD alone) was essential to study the physical processes of interest.

个人简介：
Research Scientist in Theoretical Division T-1 (Physics and Chemistry of Materials). He has several publications on PRL on nuclear materials science, and the total citation reaches more than 1000 times.
Main research interests:
•Development of atomistic simulation methodologies
•Investigation of long timescale dynamics in materials for energy applications, for materials in extreme environments, and for nanotechnology
•Design and implementation of AMDF, a massively-parallel accelerated molecular dynamics code