Table 1 Comparison of the method proposed in this work with previous checkerboard variants of parallel MC simulation, for atomistic simulation of materials

From: Revealing nanostructures in high-entropy alloys via machine-learning accelerated scalable Monte Carlo simulation

Model

Model Type

Chip

Distributed

Year

Journal & Ref.

Lennard–Jones

Pairwise

CPU

Y

1986

Thesis40

Lennard–Jones

Pairwise

CPU

Y

1996

JCC85

Ising

NN

GPU

N

2009

JCP35

Ising

NN

GPU

Y

2010

CPC36

Cluster-expasnion

Short-range

CPU

Y

2012

PRB43

Lennard–Jones

Pairwise

GPU

N

2013

JCP86

Ising

NN

FPGA

N

2013

JCP39

Hard-disk

Hard core

GPU

N

2013

JCP41

Hard-disk

Hard core

GPU

Y

2016

CPC42

Coulomb

Long-range

GPU

N

2017

JCP78

Ising

NN

TPU

Y

2019

SC38

Ising

NN

GPU-TC

Y

2020

CPC37

Magnetic

Long-range

GPU

Y

2023

JAP87

EPI, qSRO

Short-range

GPU

Y

2025

This work

  1. Algorithms generalizable to MLP, implemented on accelerators, or distributed over multiple chips, are highlighted with bold font.
  2. NN nearest-neighbor.