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Matthew P. Kroonblawd
Publication Activity (10 Years)
Years Active: 2015-2017
Publications (10 Years): 3
Top Topics
Arbitrarily Oriented
Phase Space
Molecular Dynamics
Scientific Data
Top Venues
Comput. Phys. Commun.
SIAM J. Sci. Comput.
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Publications
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Purnima Ghale
,
Matthew P. Kroonblawd
,
Sue Mniszewski
,
Christian F. A. Negre
,
Robert Pavel
,
Sergio Pino
,
Vivek Sardeshmukh
,
Guangjie Shi
,
Georg Hahn
Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning.
SIAM J. Sci. Comput.
39 (6) (2017)
Matthew P. Kroonblawd
,
Nithin Mathew
,
Shan Jiang
,
Thomas D. Sewell
A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal-crystal interfaces.
Comput. Phys. Commun.
207 (2016)
Matthew P. Kroonblawd
,
Thomas D. Sewell
Strategies for non-uniform sampling of molecular dynamics phase space trajectories of relaxation phenomena.
Comput. Phys. Commun.
196 (2015)