W. M. Brown

发表

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

Peng Wang, Steven J. Plimpton, Arnold N. Tharrington, 2011, Comput. Phys. Commun..

Liquid crystal nanodroplets in solution.

Matt K. Petersen, G. Grest, S. Plimpton, 2009, The Journal of chemical physics.

Model-Building Codes for Membrane Proteins

Malin M. Young, J. Faulon, W. M. Brown, 2005 .

Accelerated molecular dynamics and equation-free methods for simulating diffusion in solids.

A. Thompson, G. Wagner, S. Plimpton, 2011 .

Poly(3-hexylthiophene) Molecular Bottlebrushes via Ring-Opening Metathesis Polymerization: Macromolecular Architecture Enhanced Aggregation.

Jamie M. Messman, B. Sumpter, W. M. Brown, 2013, ACS macro letters.

Bridging Scales from Ab Initio Models to Predictive Empirical Models for Complex Materials

A. Thompson, J. Watson, W. M. Brown, 2008 .

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

Steven J. Plimpton, Trung Dac Nguyen, Hasan Metin Aktulga, 2021, Computer Physics Communications.

New insights into the dynamics and morphology of P3HT:PCBM active layers in bulk heterojunctions.

Rajeev Kumar, W Michael Brown, Monojoy Goswami, 2013, Physical chemistry chemical physics : PCCP.

Explicit Solvent Simulations of Friction between Brush Layers of Charged and Neutral Bottle-Brush Macromolecules

W. M. Brown, J. Carrillo, A. Dobrynin, 2012 .

OpenOrd: an open-source toolbox for large graph layout

Kevin W. Boyack, Shawn Martin, Richard Klavans, 2011, Electronic Imaging.

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

Steven J. Plimpton, Arnold N. Tharrington, W. Michael Brown, 2012, Comput. Phys. Commun..

Disparate data fusion for protein phosphorylation prediction

Jean-Loup Faulon, Genetha A. Gray, W. Michael Brown, 2010, Ann. Oper. Res..

Interactomes to Biological Phase Space: a call to begin thinking at a new level in computational biology.

George S. Davidson, William Michael Brown, G. Davidson, 2007 .

SAND 2004-6383 Unlimited Release Model-Building Codes for Membrane Proteins

Malin M. Young, J. Faulon, W. M. Brown, 2005 .

Rupture mechanism of liquid crystal thin films realized by large-scale molecular simulations.

W Michael Brown, Trung Dac Nguyen, Jan-Michael Y Carrillo, 2014, Nanoscale.

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

W. Michael Brown, Ramanan Sankaran, Jordan Angel, 2015, Concurr. Comput. Pract. Exp..

Optimizing legacy molecular dynamics software with directive-based offload

Steven J. Plimpton, W. Michael Brown, Jan-Michael Y. Carrillo, 2015, Comput. Phys. Commun..

A Case Study of Truncated Electrostatics for Simulation of Polyelectrolyte Brushes on GPU Accelerators.

W Michael Brown, Trung Dac Nguyen, Andrey V Dobrynin, 2013, Journal of chemical theory and computation.

Supporting information for “ New Insights into Dynamics and Morphology of P 3 HT : PCBM Active Layers in Bulk Hetero-junctions ”

Monojoy Goswami, B. Sumpter, W. M. Brown, 2013 .

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

Jean-Loup Faulon, Shawn Martin, W. Michael Brown, 2005, J. Comput. Aided Mol. Des..

Algorithmic dimensionality reduction for molecular structure analysis.

Jean-Paul Watson, Shawn Martin, W Michael Brown, 2008, The Journal of chemical physics.

Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics

Tudor I. Oprea, Shawn Martin, Andrei Leitão, 2008, J. Chem. Inf. Model..

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

W. Michael Brown, Masako Yamada, W. M. Brown, 2013, Comput. Phys. Commun..

A deterministic algorithm for constrained enumeration of transmembrane protein folds

W. Michael Brown, Jean-Loup Faulon, Kenneth L. Sale, 2005, Comput. Biol. Chem..

Dr.L: Distributed Recursive (Graph) Layout

Kevin W. Boyack, Shawn Martin, Richard Klavans, 2007 .

Increasing Molecular Dynamics Simulation Rates with an 8-Fold Increase in Electrical Power Efficiency

Andrey Semin, Steven J. Plimpton, Karthik Raman, 2016, SC16: International Conference for High Performance Computing, Networking, Storage and Analysis.

Accelerated application development: The ORNL Titan experience

Ray W. Grout, Rick Archibald, Wayne Joubert, 2015, Comput. Electr. Eng..

Efficient hybrid evolutionary optimization of interatomic potential models.

W Michael Brown, Aidan P Thompson, Peter A Schultz, 2010, The Journal of chemical physics.

Using product kernels to predict protein interactions.

Jean-Loup Faulon, Shawn Martin, W Michael Brown, 2008, Advances in biochemical engineering/biotechnology.

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

A. Thompson, S. Plimpton, H. Aktulga, 2022, Comput. Phys. Commun..

Prediction of β-strand packing interactions using the signature product

Jean-Loup Faulon, Shawn Martin, W Michael Brown, 2006, Journal of molecular modeling.

Rupture mechanism of liquid crystal thin films realized by large-scale molecular simulations.

W. M. Brown, J. Carrillo, T. D. Nguyen, 2014, Nanoscale.

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

Miguel Fuentes-Cabrera, Trung Dac Nguyen, Jason D. Fowlkes, 2012, ICCS.

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

W. Michael Brown, David L. Vander Jagt, W. M. Brown, 2004, J. Chem. Inf. Model..