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PROJECTS
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Legacy

Phase-Field Modeling

Based on a discretization and time-stepping algorithm, these equations include a local order parameter, a quaternion representation of local orientation, and species composition.

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Legacy

First-Principles Molecular Dynamics

This scalable first-principles MD algorithm with O(N) complexity and controllable accuracy is capable of simulating systems that were previously impossible with such accuracy.

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High-Order Finite Volume Methods

High-resolution finite volume methods are being developed for solving problems in complex phase space geometries, motivated by kinetic models of fusion plasmas.

NEWS
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SIGGRAPH recognizes LLNL scientist and collaborators with Best Paper Award

Developed by LLNL, Colorado, and Purdue researchers, a new approach eases the implementation of curved geometries into computing simulations.

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Matrix unloaded: GPU-boosted solvers for diffusion physics

Developed by LLNL and Portland State University researchers, innovative matrix-free solvers offer performance gains for complex multiphysics simulations.

A flow chart showing the classification of the types of errors in scientific computing.

Symposium paper formally verifies whether linear systems will converge

A new method defines a formal specification for convergence, which can be used to derive a set of machine-checkable conditions to guarantee a convergent solution to a differential equation.