Parallel molecular dynamics: implications for massively parallel machines

A unifying data structure for hierarchical methods

SC '99 Proceedings of the 1999 ACM/IEEE conference on Supercomputing

Demonstrating the scalability of a molecular dynamics application on a Petaflop computer

ICS '01 Proceedings of the 15th international conference on Supercomputing

Demonstrating the Scalability of a Molecular Dynamics Application on a Petaflops Computer

International Journal of Parallel Programming

Blue Matter, an application framework for molecular simulation on blue gene

Journal of Parallel and Distributed Computing - High-performance computational biology

Blue Gene: a vision for protein science using a petaflop supercomputer

IBM Systems Journal - Deep computing for the life sciences

Blue matter: approaching the limits of concurrency for classical molecular dynamics

Proceedings of the 2006 ACM/IEEE conference on Supercomputing

Application of Pfortran and Co-Array Fortran in the parallelization of the GROMOS96 molecular dynamics module

Scientific Programming

Blue matter: scaling of N-body simulations to one atom per node

IBM Journal of Research and Development