# SIMPLE AND EFFICIENT ALGORITHM FOR LARGE SCALE MOLECULAR DYNAMICS SIMULATION IN HARD DISK SYSTEM

@article{Isobe1999SIMPLEAE, title={SIMPLE AND EFFICIENT ALGORITHM FOR LARGE SCALE MOLECULAR DYNAMICS SIMULATION IN HARD DISK SYSTEM}, author={Masaharu Isobe}, journal={International Journal of Modern Physics C}, year={1999}, volume={10}, pages={1281-1293} }

A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based on the Event-Driven method is developed. From the analysis of algorithm, the complexity is ${\mathcal O} (\log N)$ per 1 event, and the constant coefficient of the complexity is smaller than conventional efficient algorithm based on the concept of Cell-Crossing Event. The maximum performance of more than 460 millions of collisions per CPU-hour on the Alpha600 compatible in a 2500 particle system…

## 48 Citations

### Speculative and distributed simulation of many-particle collision systems

- Computer Science2007 International Conference on Parallel and Distributed Systems
- 2007

To overcome the strong event dependency nature in particle collision simulations, a speculative execution scheme is proposed to exploit parallelism to solve the scalability problem by taking advantage of the availability of commodity computers.

### A GENERALIZED CELL METHOD FOR HARD DISK MOLECULAR DYNAMICS SIMULATION OF POLYDISPERSE SYSTEMS

- Materials Science
- 2007

Hard Disk Molecular Dynamics (HDMD) techniques often exhibit significant loss in calculation speed when applied to the simulation of highly polydisperse particle systems. The collision rate of the…

### Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles.

- Physics
- 2005

### Event-chain Monte Carlo algorithms for hard-sphere systems.

- Computer SciencePhysical review. E, Statistical, nonlinear, and soft matter physics
- 2009

Numerical simulations show that event-chain algorithms clearly outperform the conventional Metropolis method, and reversible versions of the algorithms, which violate detailed balance, improve the speed of the method even further.

### Hard sphere simulation in statistical physics — methodologies and applications

- Physics
- 2016

The hard disk/sphere systems are one of the most important models to investigate fundamental problems in the field of statistical physics. From the numerical point of view, simulation results on the…

### Efficient equilibration of hard spheres with Newtonian event chains.

- PhysicsThe Journal of chemical physics
- 2019

The core concepts of molecular dynamics and event chains are combined into a new algorithm involving Newtonian event chains that outperform other algorithms in the simulation of hard spheres and other hard particles.

### Sampling from a polytope and hard-disk Monte Carlo

- Mathematics
- 2013

The hard-disk problem, the statics and the dynamics of equal two-dimensional hard spheres in a periodic box, has had a profound influence on statistical and computational physics. Markov-chain Monte…

### Synchronization on Speculative Parallelization of Many-Particle Collision Simulation ∗

- Computer Science
- 2007

A new synchronization scheme is proposed that aims at improving the simulation efficiency by relaxing the requirements for locks when executing events by multiple threads by reducing overheads of common shared resources and data.

### Accelerated Simulation of a Heavy Particle in a Gas of Elastic Spheres

- PhysicsMultiscale Model. Simul.
- 2008

A new, accelerated algorithm for a system of elastic hard spheres in which one of the particles is significantly heavier than the others is presented, and it is shown that these coefficients can be calculated on the fly using short-time event-driven simulations, thereby allowing to simulate the stochastic differential equation for the colloid.

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