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 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 more than 460 millions of collisions per CPU-hour on the Alpha600 compatible in 2500 particle system is achieved. An extension to the infinite-space system based on this algorithm is also proposed
Molecular dynamic (MD) simulation is proven to be an important tool to study the structure as well a...
Molecular simulation is an indispensable tool in many different disciplines such as physics, biology...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
Although event-driven algorithms have been shown to be far more efficient than time-driven methods s...
Molecular dynamics algorithms for systems of particles interacting through discrete or "hard" potent...
We develop an efficient algorithm for detecting collisions among a large number of particles moving ...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
Abstract: Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an a...
Thesis (Ph.D.)--Boston University PLEASE NOTE: Boston University Libraries did not receive an Aut...
We develop an efficient algorithm for detecting collisions among a large number of particles moving ...
A highly efficient procedure for calculating forces in a molecular dynamics simulation on a vector c...
Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particl...
We propose and implement a priority queue suitable for use in event driven molecular dynamics simula...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on...
Molecular dynamic (MD) simulation is proven to be an important tool to study the structure as well a...
Molecular simulation is an indispensable tool in many different disciplines such as physics, biology...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
Although event-driven algorithms have been shown to be far more efficient than time-driven methods s...
Molecular dynamics algorithms for systems of particles interacting through discrete or "hard" potent...
We develop an efficient algorithm for detecting collisions among a large number of particles moving ...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
Abstract: Molecular dynamics simulation based on discrete event simulation (DMD) is emerging as an a...
Thesis (Ph.D.)--Boston University PLEASE NOTE: Boston University Libraries did not receive an Aut...
We develop an efficient algorithm for detecting collisions among a large number of particles moving ...
A highly efficient procedure for calculating forces in a molecular dynamics simulation on a vector c...
Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particl...
We propose and implement a priority queue suitable for use in event driven molecular dynamics simula...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on...
Molecular dynamic (MD) simulation is proven to be an important tool to study the structure as well a...
Molecular simulation is an indispensable tool in many different disciplines such as physics, biology...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...