Center for Simulational Physics, The University of Georgia, Athens, Georgia 30602, USA.
Phys Rev Lett. 2013 May 24;110(21):210603. doi: 10.1103/PhysRevLett.110.210603. Epub 2013 May 22.
We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models including spin glasses, the Ising model, and the Potts model, lattice protein adsorption, and the self-assembly process in amphiphilic solutions. Without loss of accuracy, the method gives significant speed-up and potentially scales up to petaflop machines.
我们引入了一种基于 replica-exchange 框架的并行 Wang-Landau 方法，用于 Monte Carlo 模拟。为了展示其在复杂系统模拟中的优势和通用性，我们将其应用于不同的自旋模型，包括 spin glasses、Ising 模型和 Potts 模型、晶格蛋白吸附以及两亲性溶液中的自组装过程。在不损失准确性的情况下，该方法显著提高了速度，并有可能扩展到 petaflop 级别的机器。
