W. Michael Brown

According to our database, W. Michael Brown authored at least 18 papers between 2004 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of three.

2022

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales.

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

Comput. Phys. Commun., 2022

2016

Increasing molecular dynamics simulation rates with an 8-fold increase in electrical power efficiency.

W. Michael Brown, Andrey Semin, Michael Hebenstreit, Sergey Khvostov, Karthik Raman, Steven J. Plimpton

Proceedings of the International Conference for High Performance Computing, 2016

2015

Optimizing legacy molecular dynamics software with directive-based offload.

W. Michael Brown, Jan-Michael Y. Carrillo, Nitin Gavhane, Foram M. Thakkar, Steven J. Plimpton

Comput. Phys. Commun., 2015

Genetic algorithm based task reordering to improve the performance of batch scheduled massively parallel scientific applications.

Ramanan Sankaran, Jordan Angel, W. Michael Brown

Concurr. Comput. Pract. Exp., 2015

Accelerated application development: The ORNL Titan experience.

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

Comput. Electr. Eng., 2015

2013

Implementing molecular dynamics on hybrid high performance computers - Three-body potentials.

W. Michael Brown, Masako Yamada

Comput. Phys. Commun., 2013

2012

An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer.

W. Michael Brown, Trung Dac Nguyen, Miguel Fuentes-Cabrera, Jason D. Fowlkes, Philip D. Rack, Mark Berger, Arthur S. Bland

Proceedings of the International Conference on Computational Science, 2012

Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh.

W. Michael Brown, Axel Kohlmeyer, Steven J. Plimpton, Arnold N. Tharrington

Comput. Phys. Commun., 2012

2011

Implementing molecular dynamics on hybrid high performance computers - short range forces.

W. Michael Brown, Peng Wang, Steven J. Plimpton, Arnold N. Tharrington

Comput. Phys. Commun., 2011

OpenOrd: an open-source toolbox for large graph layout.

Shawn Martin, W. Michael Brown, Richard Klavans, Kevin W. Boyack

Proceedings of the Visualization and Data Analysis 2011, 2011

2010

Disparate data fusion for protein phosphorylation prediction.

Genetha A. Gray, Pamela J. Williams, W. Michael Brown, Jean-Loup Faulon, Kenneth L. Sale

Ann. Oper. Res., 2010

2008

Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics.

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

J. Chem. Inf. Model., 2008

2006

Optimal Neuronal Tuning for Finite Stimulus Spaces.

W. Michael Brown, Alex Bäcker

Neural Comput., 2006

Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor.

W. Michael Brown, Shawn Martin, Mark D. Rintoul, Jean-Loup Faulon

J. Chem. Inf. Model., 2006

2005

Reverse engineering chemical structures from molecular descriptors: how many solutions?

Jean-Loup Faulon, W. Michael Brown, Shawn Martin

J. Comput. Aided Mol. Des., 2005

A deterministic algorithm for constrained enumeration of transmembrane protein folds.

W. Michael Brown, Jean-Loup Faulon, Ken Sale

Comput. Biol. Chem., 2005

Inverse Design of Large Molecules using Linear Diophantine Equations.

Shawn Martin, W. Michael Brown, Jean-Loup Faulon, Derick C. Weis, Donald P. Visco

Proceedings of the Fourth International IEEE Computer Society Computational Systems Bioinformatics Conference Workshops & Poster Abstracts, 2005

2004

Creating Artificial Binding Pocket Boundaries To Improve the Efficiency of Flexible Ligand Docking.

W. Michael Brown, David L. Vander Jagt

J. Chem. Inf. Model., 2004