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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)
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