Brett Bode

19982019
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Research Output 1998 2019

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Article
2019

Best practices for management and operation of large HPC installations

Lathrop, S., Mendes, C., Enos, J., Bode, B., Bauer, G., Sisneros, R. & Kramer, W., Aug 25 2019, In : Concurrency Computation. 31, 16, e5069.

Research output: Contribution to journalArticle

Best Practice
Leadership
Supercomputers
Water
Resources
2015

Deployment and testing of the sustained petascale Blue Waters system

Mendes, C. L., Bode, B., Bauer, G. H., Enos, J., Beldica, C. & Kramer, W. T., Sep 1 2015, In : Journal of Computational Science. 10, p. 327-337 11 p.

Research output: Contribution to journalArticle

Availability
Water
Testing
Parallel Systems
Preparation
2010

Uncontracted rys quadrature implementation of up to G functions on graphical processing units

Asadchev, A., Allada, V., Felder, J., Bode, B. M., Gordon, M. S. & Windus, T. L., Mar 9 2010, In : Journal of Chemical Theory and Computation. 6, 3, p. 696-704 9 p.

Research output: Contribution to journalArticle

quadratures
Processing
Linear algebra
Parallel architectures
Subroutines
2009

Performance of electronic structure calculations on BG/L and XT4 computers

Asadchev, A., Bode, B. M. & Gordon, M. S., Jun 1 2009, In : Journal of Computational and Theoretical Nanoscience. 6, 6, p. 1290-1296 7 p.

Research output: Contribution to journalArticle

Electronic Structure
genes
Electronic structure
Genes
electronic structure
2005

Scalable system software: A component-based approach

Bode, B., Bradshaw, R., Debenedictus, E., Desai, N., Duell, J., Geist, A., Hargrove, P., Jackson, D., Jackson, S., Laros, J., Lowe, C., Lusk, E., McLendon, W., Mugler, J., Naughton, T., Navarro, J. P., Oldfield, R., Pundit, N., Scott, S. L., Showerman, M. & 2 others, Steffen, C. P. & Walker, K., Jan 1 2005, In : Journal of Physics: Conference Series. 16, 1, p. 546-550 5 p.

Research output: Contribution to journalArticle

computer programs
interoperability
maintenance
central processing units
resources
2000

Distributed data interface in GAMESS

Fletcher, G. D., Schmidt, M. W., Bode, B. M. & Gordon, M. S., Jun 9 2000, In : Computer Physics Communications. 128, 1, p. 190-200 11 p.

Research output: Contribution to journalArticle

messages
Data storage equipment
Computer workstations
Message passing
distributed memory
1999

Catalysis of the hydrosilation and bis-silylation reactions

Bode, B., Raaii, F. & Gordon, M. S., Dec 1 1999, In : ACS Symposium Series. 721, p. 128-137 10 p.

Research output: Contribution to journalArticle

Titanium
Catalysis
Electronic structure

Fast computation of analytical second derivatives with effective core potentials: Application to Si8C12, Ge8C12, and Sn8C12

Bode, B. & Gordon, M. S., Nov 15 1999, In : Journal of Chemical Physics. 111, 19, p. 8778-8784 7 p.

Research output: Contribution to journalArticle

Angular momentum
Vibrational spectra
Scalability
Derivatives
Geometry

The catalyzed hydrosilation reaction: Substituent effects

Bode, B. & Gordon, M. S., Jun 1999, In : Theoretical Chemistry Accounts. 102, 1-6, p. 366-376 11 p.

Research output: Contribution to journalArticle

Wave functions
Titanium
Electronic structure
titanium
electronic structure
1998

MacMolPlt: A graphical user interface for GAMESS

Bode, B. M. & Gordon, M. S., Dec 1 1998, In : Journal of Molecular Graphics and Modelling. 16, 3, p. 133-138 6 p.

Research output: Contribution to journalArticle

graphical user interface
Graphical user interfaces
Molecular structure
Carrier concentration
Electrostatics

The catalyzed hydrosilation reaction

Bode, B. M., Day, P. N. & Gordon, M. S., Feb 25 1998, In : Journal of the American Chemical Society. 120, 7, p. 1552-1555 4 p.

Research output: Contribution to journalArticle

Chinese Continental Scientific Drilling Project
Wave functions
Titanium
titanium
Electronic structure