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PROJECTS
QMD simulation
Legacy

Quantum Molecular Dynamics

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.

Algorithms at Scale | Computational Math | Computational Science | Materials Science
PROJECTS
closeup of displacement rendering

Serpentine Wave Propagation

These methods for solving hyperbolic wave propagation problems allow for complex geometries, realistic boundary and interface conditions, and arbitrary heterogeneous material properties.

Computational Math | Computational Science | Discrete Mathematics | Open-Source Software | PDE Methods
PROJECTS
rainbow colored swirl on adaptive mesh

BLAST

BLAST is a high-order finite element hydrodynamics research code that improves the accuracy of simulations and provides a path to extreme parallel computing and exascale architectures.

Computational Math | Computational Science | Discrete Mathematics | Hydrodynamics
PROJECTS

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NEWS
photo of Cosmin and Ignacio

Lab team sizzles at DOE Grid Optimization Competition

February 27, 2020

LLNL bested more than two dozen teams to place first overall in Challenge 1 of the DOE Grid Optimization Competition, aimed at developing a more reliable, resilient, and secure U.S. electrical grid.

Awards | Computational Math | Computational Science | Critical Infrastructure | Cyber Security
NEWS
Ulrike Meier Yang

Podcast: Optimizing math libraries to prepare applications for exascale computing

January 3, 2020

The extreme-scale scientific software development kit (xSDK) is an ecosystem of independently developed math libraries and scientific domain components.

Computational Math | HPC Architectures | HPC Systems and Software | Multimedia
NEWS
simulation of air flow around a semi-truck

CASC Newsletter | Vol 8 | August 2019

August 8, 2019

In This Issue:

  • From the Director: Perspectives on Machine Learning and AI in Science
  • Advancing the Discipline: Opening the Black Box of Data Driven Models
  • L

AI/ML | Computational Math | Computational Science | Data Science | Data-Driven Decisions
NEWS

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LLNL
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