Our research projects vary in size, scope, and duration, but they share a focus on developing tools and methods that help LLNL deliver on its missions to the nation and, more broadly, advance the state of the art in scientific HPC. Projects are organized here in three ways: Active projects are those currently funded and regularly updated. Legacy projects are no longer actively developed. The A-Z option sorts all projects alphabetically, both active and legacy.

Active | A-Z | Legacy


Migrating Data and Services to the AWS Cloud

The Livermore Information Technology (LivIT) program is the first organization at LLNL to commit to migrating all services and applications to the Amazon Web Services cloud.


Livermore Metagenomics Analysis Toolkit

The Livermore Metagenomic Analysis Toolkit (LMAT) is a genome sequencing technology that helps accelerate the comparison of genetic fragments with reference genomes and improve the accuracy of the…



Locality-Optimizing Caching Algorithms and Layouts

The sheer size of data poses significant problems in all stages of the visualization pipeline, from offline pre-processing of simulation data, to interactive queries, to real-time rendering.…

Machine Learning

Strengthening Performance Predictions

LLNL computer scientists use machine learning to model and characterize the performance and ultimately accelerate the development of adaptive applications.


Enterprise Management for macOS Systems

MacPatch provides LLNL with enterprise system management for desktop and laptop computers running Mac OS X.

Maestro Workflow Conductor

Developing Sustainable Computational Workflows

The Maestro Workflow Conductor is a lightweight, open-source Python tool that can launch multi-step software simulation workflows in a clear, concise, consistent, and repeatable manner.


Multiphysics Simulations for the Exascale Era

Multiphysics simulation codes must perform at scale on present and future massively parallel supercomputers, be adaptable and extendable, be sustainable across multiple generations of hardware,…

Master Block List

Protecting Against Cyber Threats

Master Block List is a service and data aggregation tool that aids Department of Energy facilities in creating filters and blocks to prevent cyber attacks.

Math for Data Mining

Improved Matrix Factorization Algorithms

Newly developed mathematical techniques reveal important tools for data mining analysis.

Memory-Centric Architectures

Exploiting Emerging Persistent Memory

A new, complex memory/storage hierarchy is emerging, with persistent memories offering greatly expanded capacity, and augmented by DRAM/SRAM cache and scratchpads to mitigate latency.


Scalable Finite Element Discretization Library

The open-source MFEM library enables application scientists to quickly prototype parallel physics application codes based on PDEs discretized with high-order finite elements.



Tools for MPI 3.0

MPI_T is an interface for tools introduced in the 3.0 version of MPI. The interface provides mechanisms for tools to access and set performance and control variables that are exposed by an MPI…



Nonlinear Solvers and Differential Equations

The NSDE project is focused on research and development of nonlinear solvers and sensitivity analysis techniques for nonlinear, time-dependent, and steady-state partial differential equations.



Fortran ODE Solvers

ODEPACK is a collection of Fortran solvers for the initial value problem for ordinary differential equation systems. The collection is suitable for both stiff and nonstiff systems and includes…

Parallel Software Development Tools

R&D for Exascale Architectures

Users need tools that address the bottlenecks of exascale machines, work seamlessly with the programming models on the target machines, scale to the full size of the machine, provide the necessary…


Performance Analysis and Visualization at Exascale

Performance analysis of parallel scientific codes is becoming increasingly difficult, and existing tools fall short in revealing the root causes of performance problems. We have developed the HAC…


Modeling Complex, Asynchronous Systems

PDES focuses on models that can accurately and effectively simulate California’s large-scale electric grid.


Phase-Field Modeling

Real-Space Representation in Scalable Simulation Code

Livermore researchers have developed an algorithm for the numerical solution of a phase-field model of microstructure evolution in polycrystalline materials. The system of equations includes a…

Preparing Codes for Exascale

Advanced Architecture and Portability Specialists

LLNL's Advanced Simulation Computing program formed the Advanced Architecture and Portability Specialists team to help LLNL code teams identify and implement optimal porting strategies.


Providing Reproducibility for Uncovering Non-Deterministic Errors in Runs on Supercomputers

The PRUNERS Toolset offers four novel debugging and testing tools to assist programmers with detecting, remediating, and preventing errors in a coordinated manner.


Non-Intrusive Uncertainty Quantification

The flourishing of simulation-based scientific discovery has also resulted in the emergence of the verification and validation (V&V) and uncertainty quantification (UQ) disciplines. The goal…



Low-Overhead Wrapper Library

PnMPI is a thin, low-overhead wrapper library that is automatically generated from mpi.h file and that can be linked by default.



Computing Electronic Structures at the Quantum Level

LLNL’s version of Qbox, a first-principles molecular dynamics code, will let researchers accurately calculate bigger systems on supercomputers.


Quantum Molecular Dynamics

Scalable Simulations and Algorithms with Reduced Complexity

A new algorithm for use with first-principles molecular dynamics codes enables the number of atoms simulated to be proportional to the number of processors available.