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Research Highlights



Harnessing New Computing Tools to Solve Big Physics Problems
New $10 million collaborative grant to boost deep learning applications(February 2019)

Gao Self Assembling

Programmable Self-Assembled Nanostructures
Researchers demonstrate a strategy for tailoring dendritic polymers(January 2019)



Automating Expertise
New training approach teaches a deep learning model to learn expert knowledge(August 2018)


Examining the Irregular
PNNL, Intel team up to edit first non-conference special issue of ‘ACM Transactions on Parallel Computing’(August 2018)


A Medal for Metal
Industry/national labs research team earns American Iron and Steel Institute Medal(May 2018)

Shippert Contributes to First-ever Observations of Methane’s Impact on Greenhouse Effect
Work detailed in ‘Nature Geoscience’ shows how methane acts as heat-trapping greenhouse gas(April 2018)


Taming Big Data Analytics Workloads
HPC scientists to showcase SHAD developer framework at upcoming IEEE/ACM CCGrid 2018 Conference(February 2018)


Training Day
PNNL team explores how training neural networks can improve modeling of physical systems(January 2018)


Lightweighting with a Heavy Hitter
General Motors teams with PNNL’s Computational Engineering group to enhance performance models(January 2018)



See Here
New visual analytics book highlights users’ perspective(December 2017)


Something New in the Air
BlueSky adds capability, flexibility to computing research at PNNL(December 2017)

Power grid

Stressed Out: Can Models Predict Grid Tolerance to Environmental Extremes?
A regression model performs well in predicting grid stress based on regional weather conditions.(October 2017)


Centering on Data Vortex
First Data Vortex User Group meeting to be hosted by PNNL High Performance Computing(September 2017)


Data, HPC Scientists Team for GraphChallenge Championship
Grappolo graph clustering library impresses with code quality(August 2017)


A Steely Combination
DOE labs and industry team unveil new predictive modeling method(June 2017)


(Pro)Active Transport
Method to maintain the viability of the transportation network earns Best Paper award at HST '17(May 2017)


Setting the Standards
PNNL data scientists contribute to new W3C guide for Web best practices(February 2017)


A Publishing Machine
Gioiosa gets the word out about what it takes to build viable extreme-scale systems(February 2017)


Ready for the Dawn of Aurora
NWChemEx granted time on new LCF supercomputer to advance popular computational chemistry code(February 2017)



Making Virtual a Reality
PNNL showcases new virtual reality research at SC16(December 2016)

Researchers study zeolite catalysts

Of Catalysts and Coke
Researchers peer inside catalyst used in biofuel processing to investigate why it clogs(December 2016)


CENATE Adds Powerful Testbed from NVIDIA
PNNL among the first to acquire machine learning system that features new Pascal microarchitecture(September 2016)


Launching a New Era for NWChem
PNNL-developed computational chemistry code set to grow under new ECP project(September 2016)


They've Still Got 'Game'
Work from PNNL's Asymmetric Resilient Cybersecurity initiative gets the 'SIAM News' spotlight(July 2016)


A Slow Separation
Novel model illustrates the finer details of nuclear fission(April 2016)

two DNA simulations

A New Model for Simulating DNA's 'Atmosphere' of Ions
Refined insights into critical ionic interactions with nature's building blocks(April 2016)

A Spotlight on Improving Computing System Performance
Song's research hits a high note with HPDC'16 program committee(March 2016)


Parasail Navigates New Research Territory
Software library unites core bioinformatics algorithms for improved performance, efficiency(March 2016)


Separate Paths to ‘Parallel‘ Solutions
Three IPDPS papers to showcase novel solutions for improving HPC processing(February 2016)


Captured by the Game
Game theoretic approaches up the ante on defending cybersecurity resources(January 2016)



CENATE: A Computing Proving Ground
New center at PNNL will shape future extreme-scale computing systems(October 2015)


Taking Action for Resilient Cyber Systems
Demo and workshop paper to showcase novel graph model at ACM Conference on Computer and Communications Security(October 2015)

Keeping it All Together
Mathematical kinetics model accurately depicts grain-level corrosion plaguing metal alloys(August 2015)

The Reality of Problem Solving
Algorithm accounts for uncertainty to enable more accurate modeling(June 2015)

Energy Star
Novel models of HPC systems depict the interplay between energy efficiency and resilience(April 2015)

StreamWorks: Pattern Detection for Your Protection
Novel graph method detects cyber-attack patterns in complex computing networks(March 2015)

A Meaningful Data Miner
GEMS' cooperative software framework helps tame "too Big" data(March 2015)

Modeling Multiple Scales to Simulate Groundwater Dynamics More Accurately
Analysis of hydrogeologic modeling shows effectiveness of multiscale hybrid methods(March 2015)

Cross-institutional Team Demonstrations Tackle Big Data Challenges in Materials Science
Collaborative environment for experimental facilities, computational modeling, and federated data science capabilities drives innovation(February 2015)

The Speed to Solution
Addressing fast community detection and other related problems(January 2015)


The Dynamics of Mixing
New math model mingles many processes to examine mixing fronts in porous media flows(December 2014)

A Shiny, New Graph Query System
GEMS software provides a scalable solution for graph queries over increasingly large data sets(October 2014)

Fueled by Algorithms
Improvements to classical graph theory have far-reaching potential to impact modern-day problem solving(October 2014)

Comm Link
Framework generates communication-optimal algorithms for contracting distributed tensors; may represent new state of the art(July 2014)

Match. Color. Repeat.
Combinatorial graph techniques put schedulers in the driver's seat(June 2014)

Automotive Body Building
Integrated computational manufacturing process simulation models can prevent sheet failures in automobile alloy materials(June 2014)

Inverse Modeling of X-ray Imaging to Combat Nuclear Materials Trafficking
Algorithm could improve detection capabilities in current X-ray detectors(May 2014)


Palm: Making Application Modeling Easier
New tool eases the burden of creating and reproducing analytical performance models(May 2014)

Simplifying Exascale Application Development
Scientists apply new graph programming method for evolving applications aimed at the exascale(April 2014)

Surpassing Boundaries in Fluid Dynamics
Novel mathematical method provides computationally efficient way to model boundary conditions in fluid flows(February 2014)


Powering Performance at the Exascale
Optimal performance within stringent power and reliability requirements is the main design criterion for exascale systems(February 2014)

Parallel in time.

Better Chemistry Through Computing
Parallel in time algorithms speed up molecular simulation time scales(February 2014)

satellite view of top of atmosphere with moon

Model Parameter Proving Ground
Testing an atmospheric model's radiative flux sensitivities at the top of the atmosphere(January 2014)


Stream flowing through rocks with binary data on top

Testing a Land Model's Water Cycle Simulation Skills
Uncertainty exposed and characterized in model's hydrologic parameters(December 2013)

Seeking Out Silent Threats to Simulation Integrity
Controlling the impact of soft errors on optimization algorithm results(September 2013)

Detecting the Secrets of the Universe Deep Underground
Using advanced detection techniques, scientists will attempt to detect a Majorana Particle.(August 2013)

No Downtime for Communication
New framework allows for asynchronous communication in exascale machines(February 2013)

journal cover image

The Biology of Plague
Systems approach used to investigate strains of Yersinia(January 2013)

PNNL, UW tackle big data with joint computing institute
Northwest Institute for Advanced Computing seeks solutions to real-world problems(January 2013)


Efficiently utilizing all processor cores available is essential to fully utilize a supercomputer.

Most Scalable Work Distribution Strategies
Load-balancing algorithms achieve the most scalable approaches to balance work(December 2012)

Illustrating the Power of Modeling
Experiments validate quantitative model predictions for cell activation dynamics(November 2012)

Predicting the Future for Stroke Victims
Computer model enables better understanding of what happens during and after stroke(November 2012)

Getting a Quick View of Data
New software component provides near real-time look at experimental data(November 2012)


Taming Uncertainty in Climate Prediction
Using the uncertainty quantification method in precipitation modeling(March 2012)


Learning About Material Integrity from Statistical Data
Imaging, statistics, and computational analysis shed new light on defects(February 2012)


Bacteria to the Rescue
High-performance computing adds speed, clarity to uranium bioremediation research(January 2012)



Python Bindings Snake into Global Arrays Toolkit
Programming language gets new support for writing high-performance computer codes(September 2011)

Data Sets

Novel High-Performance Hybrid System for Semantic Factoring of Graph Databases
PNNL team wins second place in "Billion Triple Challenge"(September 2011)

Modeling the Bizarre: Quantum Superfluids
Research could improve understanding of nuclear reactions, neutron stars(June 2011)

Data Distribution

Fewer Faults for Faster Computing
A scalable fault tolerance model for high-performance computational chemistry(April 2011)

Predicting immune system responses

Defending Against Disease
Predicting immune system responses to various stimuli(April 2011)

Ru02 Diagram

Accounting for Scale in Catalysis
Model simulates catalyst's heat transfer, thickness, and feedstock movement(March 2011)


34 CPUs

Scaling Goes eXtreme
Researchers reach 34K CPUs(May 2010)

Simulated Uranium

PFLOTRAN: Advanced Computing Modeling for a Cleaner Environment
Innovative Computer Code Simulates Movement of Underground Contaminants at Hanford(April 2010)

High Speed Cable Network

Backhoes Back Off!
PNNL secondary network connection now provides seamless data transfer(March 2010)

Global Arrays

Computational Science Programming Model Crosses the Petaflop Barrier
Global Arrays demonstrates petascale capability at SC'09(February 2010)


Portrait Alexandre Tartakovsky

New Modeling Approach Will Better Quantify Polar Ice Sheet Melts
Research to improve predictive ability of climate models(December 2009)


Protein That Controls Cell Growth Gives Good Oscillations
Findings featured in Molecular Systems Biology(December 2009)

BSE Logo

Free Web Portal Makes Finding and Sharing Basis Sets Faster, Easier
Article showcasing tool designated a "hot paper"(September 2009)

Molecular Modeling

Advances in Computer Science Speed Solutions to Global Challenges
Researchers' work on molecular modeling and simulation on cover of SciDAC(September 2009)

Global Arrays Toolkit logo

Global Arrays Toolkit Version 4.2 Released
New version provides new, additional support for scientific research(August 2009)


Increase in IO Bandwidth to Enhance Future Understanding of Climate Change
Milestone reached in development of climate model code(August 2009)

Portrait of Ian Gorton

Survey Reveals the State of Software Architecture Review Practice in Organizations
Results show considerable room for improvement to increase their impact(August 2009)

Combining MeDICi with the Kepler workflow enables researchers to focus on scientific discovery

New Workflow Approach Enables Development of Flexible Algorithms
Solution could greatly simplify the construction of workflow applications(July 2009)

Portrait of Terence Critchlow

Scientific Process Automation: Enhancing Scientific Analysis and Discovery
SPA develops automated workflows for a variety of computational science domains(July 2009)

Portrait of Richard Corley

PNNL Plays Key Role in Pollution Health Risk Studies Led by OSU
Lab will provide pharmacokinetic model development, bioinformatics support, advisory role(June 2009)

Photo: Karol Kowalski

New Algorithms Will Make Fast Work of Molecular Modeling
PNNL has opportunity to define new standards for molecular simulations(April 2009)

Medical Graphic.

Computational Science Leveraged for Infectious Disease Research
PNNL's powerful computational tools will enable better understanding of infectious diseases in humans(March 2009)

Portrait of Bobbie-Jo Webb-Robertson

Computers "Learn" to Find Mass Spec Peptides from Sequence Data
Machine-learning approach may prove to be more cost effective and accurate than current method(March 2009)

Portrait of Katrina Waters

Measurements at the Genome-Scale Made in Nanotoxicity Study
Macrophage cell model gives insight to toxic effects of nanomaterials(February 2009)

Unlike previous models (top), a new computational model (bottom) includes the full “cloud” of electrons in a water molecule.

Water, Water Everywhere
New model improves calculation of electric fields(February 2009)


Diagram of fault tolerant computing approach.

Making Supercomputers More Nimble
Collaborators help large computing systems handle crashing processors(December 2008)

Portrait of Larry Smarr

Dedicated Optical Networks Transforming Computational Science and Collaboration
Second Frontiers in Computational & Information Sciences Lecture features Larry Smarr(September 2008)


PNNL Research Shedding Light on Complex Reactions at Interfaces
Computational approach may speed development of novel materials and help design better chemical processes and catalysts(August 2008)

Portrait of Tony Hey

Microsoft VP Sees Smart Cyberinfrastructure for Research at the Edge
Frontiers in Computational & Information Sciences Seminar Series Inaugurated(June 2008)


Knowledge Foundations & Collaboratories
Bringing together people, tools, and science(September 2007)

Computing Research

Research Areas




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