PreprintJournal of Chemical Theory and Computation2008Featured
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
Berk Hess, Carsten Kutzner, David van der Spoel, et al.
GROMACS 4 introduces algorithmic optimizations and parallelization techniques that achieve high performance and scalability for molecular dynamics simulations.
16kFeb 2, 2008Scaling Laws