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We present a parallel implementation of the Car-Parrinello method (1985) for first principles molecular dynamics simulations, in the Parallel Virtual ...
We present a parallel implementation of the Car-. Parrinello method [l, .%] for first principles molecular dynamics simulations, in the Parallel Virtual Machine.
We present a parallel implementation of the Car-Parrinello method (1985) for first principles molecular dynamics simulations, in the Parallel Virtual ...
We have implemented the first-principles molecular dynamics algorithm of Car and Parrinello to take advantage of the currently available and emerging class ...
A Car-Parrinello ab-initio molecular dynamics method used hitherto on work- stations and vector-computers has been parallelized using a master-slave model.
The Car-Parrinello ab-initio molecular dynamics method is heavily used in studies of the properties of materials, molecules etc. Our. Car-Parrinello code, which ...
The study highlights the ability of synergistic research in parallel algorithm, hardware design and methodological development to generate fast applications ...
On a Con- nection Machine CM-2, a parallel implementation of the. Car-Parrinello algorithm makes the study of systems ap- proaching a thousand atoms possible.
Special focus is given to the Car–. Parrinello method with discussion of both strengths and weaknesses in addition to its range of applicability. To shed light ...
Dec 7, 2024 · Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer. January 2008; IBM ...