Matthew P. Kroonblawd

According to our database, Matthew P. Kroonblawd authored at least 3 papers between 2015 and 2017.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2017

Task-based Parallel Computation of the Density Matrix in Quantum-based Molecular Dynamics using Graph Partitioning.

Purnima Ghale, Matthew P. Kroonblawd, Sue Mniszewski, Christian F. A. Negre, Robert Pavel, Sergio Pino, Vivek Sardeshmukh, Guangjie Shi, Georg Hahn

SIAM J. Sci. Comput., 2017

2016

A generalized crystal-cutting method for modeling arbitrarily oriented crystals in 3D periodic simulation cells with applications to crystal-crystal interfaces.

Matthew P. Kroonblawd, Nithin Mathew, Shan Jiang, Thomas D. Sewell

Comput. Phys. Commun., 2016

2015

Strategies for non-uniform sampling of molecular dynamics phase space trajectories of relaxation phenomena.

Matthew P. Kroonblawd, Thomas D. Sewell

Comput. Phys. Commun., 2015