Publication Type
Conference Paper
Publication Date
Page Numbers
811 to 818
Volume
N/A
Conference Name
2015 TMS Annual Meeting & Exhibition
Conference Location
Orlando, Florida, United States of America
Conference Date
-
Abstract
We describe the study of thermodynamics of materials using replica-exchange Wang–Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang–Landau Monte Carlo method. To evaluate the performance and scalability of the method, we investigate the magnetic phase transition in body-centered cubic (bcc) iron using the classical Heisenberg model parameterized with first principles calculations. We demonstrate that our framework leads to a significant speedup without compromising the accuracy and precision and facilitates the study of much larger systems than is possible with its serial counterpart.
