Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Random-batch list algorithm for short-range molecular dynamics
  simulations   We propose a fast method for the calculation of short-range interactions in
molecular dynamics simulations. The so-called random-batch list method is a
stochastic version of the classical neighbor-list method to avoid the
construction of a full Verlet list, which introduces two-level neighbor lists
for each particle such that the neighboring particles are located in core and
shell regions, respectively. Direct interactions are performed in the core
region. For the shell zone, we employ a random batch of interacting particles
to reduce the number of interaction pairs. The error estimate of the algorithm
is provided. We investigate the Lennard-Jones fluid by molecular dynamics
simulations, and show that this novel method can significantly accelerate the
simulations with a factor of several fold without loss of the accuracy. This
method is simple to implement, can be well combined with any linked cell
methods to further speed up and scale up the simulation systems, and can be
straightforwardly extended to other interactions such as Ewald short-range
part, and thus it is promising for large-scale molecular dynamics simulations.

30
The categories of this paper are: q-alg
21
The categories of this paper are: adap-org
11
The categories of this paper are: hep-lat
35
The categories of this paper are: mtrl-th
36
The categories of this paper are: cmp-lg
31
The categories of this paper are: ao-sci
12
The categories of this paper are: nucl-th
26
The categories of this paper are: bayes-an
5
The categories of this paper are: gr-qc
9
The categories of this paper are: nlin
20
The categories of this paper are: acc-phys
32
The categories of this paper are: atom-ph
18
The categories of this paper are: econ
13
The categories of this paper are: quant-ph
16
The categories of this paper are: stat
6
The categories of this paper are: astro-ph