𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Efficient Algorithms for Many-Body Hard Particle Molecular Dynamics

✍ Scribed by Mauricio Marı́n; Dino Risso; Patricio Cordero

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
556 KB
Volume
109
Category
Article
ISSN
0021-9991

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An Efficient Stochastic Algorithm for Si
An Efficient Stochastic Algorithm for Simulating Nano-particle Dynamics
✍ Michael Goodson; Markus Kraft 📂 Article 📅 2002 🏛 Elsevier Science 🌐 English ⚖ 380 KB

Nano-particles produced at high temperatures often undergo rapid coalescence with complex associated rate laws. In this paper we develop and study the numerical properties of a stochastic algorithm for the modelling of nano-particle dynamics in the free molecular regime. Following the work in A. Eib

A vectorized algorithm on the ETA 10-P f
A vectorized algorithm on the ETA 10-P for molecular dynamics simulation of large number of particles confined in a long cylinder
✍ J. Mościński; J. Kitowski; Z.A. Rycerz; P.W.M. Jacobs 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 591 KB

In this paper we describe an algorithm suitable for molecular dynamics (MD) computer simulation of particles confined in a cylinder and interacting by short-ranged forces. A procedure for determining neighbours is based on sorting the particles according to values of one coordinate along the axis of

Computationally efficient canonical mole
Computationally efficient canonical molecular dynamics simulations by using a multiple time-step integrator algorithm combined with the particle mesh Ewald method and with the fast multipole method
✍ Kawata, Masaaki; Mikami, Masuhiro 📂 Article 📅 2000 🏛 John Wiley and Sons 🌐 English ⚖ 545 KB

An efficient implementation of the canonical molecular dynamics simulation using the reversible reference system propagator algorithm (r-RESPA) combined with the particle mesh Ewald method (PMEM) and with the macroscopic expansion of the fast multipole method (MEFMM) was examined. The performance of