AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 1024 nodes for 400 million particles and (2) a new method for dynamic load balancing
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
In heterogeneous distributed environments such as the Grid, the available resources, namely the netw...
Molecular Dynamics (MD) simulations are an integral method in the computational studies of material...
We report two aspects of a computational molecular dynamics study of large-scale problems on a distr...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
The iterative Multilevel Averaging Weight (MAW) algorithm presented in paper [1] is modified to solv...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Thesis (Ph.D.)--Boston University PLEASE NOTE: Boston University Libraries did not receive an Aut...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
The most widely used technique to allow for parallel simulations in molecular dynamics is spatial do...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
In heterogeneous distributed environments such as the Grid, the available resources, namely the netw...
Molecular Dynamics (MD) simulations are an integral method in the computational studies of material...
We report two aspects of a computational molecular dynamics study of large-scale problems on a distr...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
The iterative Multilevel Averaging Weight (MAW) algorithm presented in paper [1] is modified to solv...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Thesis (Ph.D.)--Boston University PLEASE NOTE: Boston University Libraries did not receive an Aut...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
The most widely used technique to allow for parallel simulations in molecular dynamics is spatial do...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
In heterogeneous distributed environments such as the Grid, the available resources, namely the netw...
Molecular Dynamics (MD) simulations are an integral method in the computational studies of material...