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W. Michael Brown
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2020 – today
- 2022
- [j14]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: 108171 (2022)
2010 – 2019
- 2016
- [c4]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: 82-95 - 2015
- [j13]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: 123-138 (2015) - [j12]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): 4763-4783 (2015) - [j11]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: 95-101 (2015) - 2013
- [j10]W. Michael Brown, Masako Yamada:
Implementing molecular dynamics on hybrid high performance computers - Three-body potentials. Comput. Phys. Commun. 184(12): 2785-2793 (2013) - 2012
- [j9]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): 449-459 (2012) - [c3]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: 186-195 - 2011
- [j8]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): 898-911 (2011) - [c2]Shawn Martin, W. Michael Brown, Richard Klavans, Kevin W. Boyack
:
OpenOrd: an open-source toolbox for large graph layout. Visualization and Data Analysis 2011: 786806 - 2010
- [j7]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): 219-235 (2010)
2000 – 2009
- 2008
- [j6]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): 1626-1637 (2008) - 2006
- [j5]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): 826-835 (2006) - [j4]W. Michael Brown, Alex Bäcker:
Optimal Neuronal Tuning for Finite Stimulus Spaces. Neural Comput. 18(7): 1511-1526 (2006) - 2005
- [j3]W. Michael Brown, Jean-Loup Faulon
, Ken Sale:
A deterministic algorithm for constrained enumeration of transmembrane protein folds. Comput. Biol. Chem. 29(2): 143-150 (2005) - [j2]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): 637-650 (2005) - [c1]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: 11-16 - 2004
- [j1]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): 1412-1422 (2004)
Coauthor Index
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