W. Michael Brown

Publication Activity (10 Years)

Years Active: 2004-2022
Publications (10 Years): 5

Top Topics

Application Development

Electrical Power

Molecular Dynamics

Simulation Tools

Top Venues

Comput. Phys. Commun.

Comput. Electr. Eng.

Concurr. Comput. Pract. Exp.

Publications

Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in 't Veld, Axel Kohlmeyer, Stan G. Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida, Christian Trott, Steven J. Plimpton
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comput. Phys. Commun. 271 (2022)
W. Michael Brown, Andrey Semin, Michael Hebenstreit, Sergey Khvostov, Karthik Raman, Steven J. Plimpton
Increasing molecular dynamics simulation rates with an 8-fold increase in electrical power efficiency. SC (2016)
W. Michael Brown, Jan-Michael Y. Carrillo, Nitin Gavhane, Foram M. Thakkar, Steven J. Plimpton
Optimizing legacy molecular dynamics software with directive-based offload. Comput. Phys. Commun. 195 (2015)
Wayne Joubert, Rick Archibald, Mark A. Berrill, W. Michael Brown, Markus Eisenbach, Ray W. Grout, Jeff Larkin, John M. Levesque, Bronson Messer, Matthew R. Norman, Bobby Philip, Ramanan Sankaran, Arnold N. Tharrington, John A. Turner
Accelerated application development: The ORNL Titan experience. Comput. Electr. Eng. 46 (2015)
Ramanan Sankaran, Jordan Angel, W. Michael Brown
Genetic algorithm based task reordering to improve the performance of batch scheduled massively parallel scientific applications. Concurr. Comput. Pract. Exp. 27 (17) (2015)
W. Michael Brown, Masako Yamada
Implementing molecular dynamics on hybrid high performance computers - Three-body potentials. Comput. Phys. Commun. 184 (12) (2013)
W. Michael Brown, Trung Dac Nguyen, Miguel Fuentes-Cabrera, Jason D. Fowlkes, Philip D. Rack, Mark Berger, Arthur S. Bland
An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer. ICCS (2012)
W. Michael Brown, Axel Kohlmeyer, Steven J. Plimpton, Arnold N. Tharrington
Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh. Comput. Phys. Commun. 183 (3) (2012)
Shawn Martin, W. Michael Brown, Richard Klavans, Kevin W. Boyack
OpenOrd: an open-source toolbox for large graph layout. Visualization and Data Analysis (2011)
W. Michael Brown, Peng Wang, Steven J. Plimpton, Arnold N. Tharrington
Implementing molecular dynamics on hybrid high performance computers - short range forces. Comput. Phys. Commun. 182 (4) (2011)
Genetha A. Gray, Pamela J. Williams, W. Michael Brown, Jean-Loup Faulon, Kenneth L. Sale
Disparate data fusion for protein phosphorylation prediction. Ann. Oper. Res. 174 (1) (2010)
W. Michael Brown, Ariella Sasson, Donald R. Bellew, Lucy A. Hunsaker, Shawn Martin, Andrei Leitão, Lorraine M. Deck, David L. Vander Jagt, Tudor I. Oprea
Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics. J. Chem. Inf. Model. 48 (8) (2008)
W. Michael Brown, Shawn Martin, Mark D. Rintoul, Jean-Loup Faulon
Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor. J. Chem. Inf. Model. 46 (2) (2006)
W. Michael Brown, Alex Bäcker
Optimal Neuronal Tuning for Finite Stimulus Spaces. Neural Comput. 18 (7) (2006)
W. Michael Brown, Jean-Loup Faulon, Ken Sale
A deterministic algorithm for constrained enumeration of transmembrane protein folds. Comput. Biol. Chem. 29 (2) (2005)
Shawn Martin, W. Michael Brown, Jean-Loup Faulon, Derick C. Weis, Donald P. Visco
Inverse Design of Large Molecules using Linear Diophantine Equations. CSB Workshops (2005)
Jean-Loup Faulon, W. Michael Brown, Shawn Martin
Reverse engineering chemical structures from molecular descriptors: how many solutions? J. Comput. Aided Mol. Des. 19 (9-10) (2005)
W. Michael Brown, David L. Vander Jagt
Creating Artificial Binding Pocket Boundaries To Improve the Efficiency of Flexible Ligand Docking. J. Chem. Inf. Model. 44 (4) (2004)