### LANS Research

MINOTAUR is an open-source toolkit for solving Mixed Integer Nonlinear Optimization Problems. It provides different solvers that implement state-of-the-art algorithms for MINLP. The Minotaur library can also be used to customize algorithms to exploit on specific problem structures.

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**BioMesh: An All-Hex Meshing Strategy**

Bifurcation is very common in all natural flow carriers (example arteries, veins etc.). Most of the numerical flow simulation using Navier-Stokes equations require a high quality discretization of computational domain into 2D (Triangles, Quadrilaterals or Polygons) or 3D simplexes ( tetrahedra, hexahedral, prism, or hybrid)...

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**CSCAPES: Combinatorial Scientific Computing and Petascale Simulations**

Combinatorial Scientific Computing and Petascale Simulations (CSCAPES) is a SciDAC Institute established to harness terascale and petascale performance for scientific simulations critical to DOE's mission...

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**CCA: Common Component Architecture**

The CCA is a U.S. Department of Energy forum to design a common component architecture for high-performance scientific computing. Specifically, we are experimenting with the CCA specification for component interactions and a Scientific Interface Definition Language (under development at Lawrence Livermore National Laboratory) to address language interoperability among software tools.

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**CACHE Institute: Communication Avoidance and Communication Hiding at the Extreme Scale**

Our goal is to have applied mathematicians and computer scientists collaborate to reduce the two major obstacles to productively using future extreme scale computer architectures: the cost of communication, and the programming eﬀort required to write efficient programs on these increasingly large and complicated machines...

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**TUNE: Compiler-Directed Automatic Performance Tuning**

In this project, we will develop compiler-directed performance tuning technology

targeting the Cray XT3 system at Oak Ridge, which has multi-core Opteron nodes with

SSE-3 SIMD extensions...

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The Computational Differentiation Group at Argonne develops technologies for generating, with minimal human effort, efficient derivative code for models implemented as computer programs. These technologies include compiler-based automatic differentiation tools, new differentiation strategies, and web-based differentiation services...

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**CFD: Computational Fluid Dynamics**

We are interested in parallel algorithms and software to enable accurate simulation of unsteady incompressible fluid flows in general three-dimensional geometries. The difficulty with this class of problems stems from a number of features of the governing Navier-Stokes equations...

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**Derivative-Free Optimization of Complex Systems**

Complex optimization problems where derivatives are unavailable arise in all important scientific application areas. The computational expense of the underlying simulations can be significant, requiring hours on the largest architectures...

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**SUPER: Institute for Sustained Performance, Energy and Resilience**

SciDAC Institute (see http://science.energy.gov/ascr/research/scidac/scidac-institutes/) examining research issues in performance engineering (including modeling and auto-tuning), energy efficiency, resilience and optimization.

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**NEOS: Network-Enabled Optimization System**

Our optimization solvers represent the state-of-the-art in optimization software. Optimization problems are solved automatically with minimal input from the user. Users only need a definition of the optimization problem; all additional information required by the optimization solver is determined automatically...

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**OpenAD/F: Automatic Differentiation of Fortran Codes**

The OpenAD/F project seeks to develop a modular, open-source tool for the automatic generation of adjoint code from Fortran 95 source code. Discrete adjoint computations are used for sensitivity analysis and to provide the gradients used in geophysical state estimation...

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The goal of the OpenAnalysis toolkit is to separate analysis from the intermediate representation in a way that allows the orthogonal development of compiler infrastructures and program analysis. Separation of analysis from specific intermediate representations will enable faster development of compiler infrastructures, the ability to share and compare analysis implementations, and in general quicker breakthroughs and evolution in the area of program analysis.

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**PETSc: Portable, Extensible Toolkit for Scientific Computation**

PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. It employs the MPI standard for all message-passing communication.

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**TAO: Toolkit for Advanced Optimization**

The TAO project focuses on software for large-scale optimization problems. TAO uses an object-oriented design to create a flexible toolkit with strong emphasis on the reuse of external tools where appropriate...

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