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Items: 11

1.

Graph-based linear scaling electronic structure theory.

Niklasson AM, Mniszewski SM, Negre CF, Cawkwell MJ, Swart PJ, Mohd-Yusof J, Germann TC, Wall ME, Bock N, Rubensson EH, Djidjev H.

J Chem Phys. 2016 Jun 21;144(23):234101. doi: 10.1063/1.4952650.

PMID:
27334148
2.

Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics Simulations.

Negre CF, Mniszewski SM, Cawkwell MJ, Bock N, Wall ME, Niklasson AM.

J Chem Theory Comput. 2016 Jul 12;12(7):3063-73. doi: 10.1021/acs.jctc.6b00154. Epub 2016 Jun 24.

PMID:
27267207
3.

Computation of the Density Matrix in Electronic Structure Theory in Parallel on Multiple Graphics Processing Units.

Cawkwell MJ, Wood MA, Niklasson AM, Mniszewski SM.

J Chem Theory Comput. 2014 Dec 9;10(12):5391-6. doi: 10.1021/ct5008229.

PMID:
26583222
4.

Efficient parallel linear scaling construction of the density matrix for Born-Oppenheimer molecular dynamics.

Mniszewski SM, Cawkwell MJ, Wall ME, Mohd-Yusof J, Bock N, Germann TC, Niklasson AM.

J Chem Theory Comput. 2015 Oct 13;11(10):4644-54. doi: 10.1021/acs.jctc.5b00552. Epub 2015 Sep 29.

PMID:
26574255
5.

Optimizing human activity patterns using global sensitivity analysis.

Fairchild G, Hickmann KS, Mniszewski SM, Del Valle SY, Hyman JM.

Comput Math Organ Theory. 2014 Dec 1;20(4):394-416.

6.

Towards a Hybrid Agent-based Model for Mosquito Borne Disease.

Mniszewski SM, Manore CA, Bryan C, Del Valle SY, Roberts D.

Summer Comput Simul Conf (2014). 2014 Jul;2014. pii: 10.

7.

Computing the Density Matrix in Electronic Structure Theory on Graphics Processing Units.

Cawkwell MJ, Sanville EJ, Mniszewski SM, Niklasson AM.

J Chem Theory Comput. 2012 Nov 13;8(11):4094-101. doi: 10.1021/ct300442w. Epub 2012 Oct 8.

PMID:
26605576
8.

A categorization approach to automated ontological function annotation.

Verspoor K, Cohn J, Mniszewski S, Joslyn C.

Protein Sci. 2006 Jun;15(6):1544-9. Epub 2006 May 2.

9.

Semi-empirical power-law scaling of new infection rate to model epidemic dynamics with inhomogeneous mixing.

Stroud PD, Sydoriak SJ, Riese JM, Smith JP, Mniszewski SM, Romero PR.

Math Biosci. 2006 Oct;203(2):301-18. Epub 2006 Mar 15.

PMID:
16540129
10.

Protein annotation as term categorization in the gene ontology using word proximity networks.

Verspoor K, Cohn J, Joslyn C, Mniszewski S, Rechtsteiner A, Rocha LM, Simas T.

BMC Bioinformatics. 2005;6 Suppl 1:S20. Epub 2005 May 24.

11.

The gene ontology categorizer.

Joslyn CA, Mniszewski SM, Fulmer A, Heaton G.

Bioinformatics. 2004 Aug 4;20 Suppl 1:i169-77.

PMID:
15262796

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