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Mathematical Software

We perform research in the development and application of mathematical algorithms and software in support of computational science within NIST as well as in industry and academia.

The group develops fundamental mathematical algorithms of direct relevance to NIST programs, implements them in high-quality software, and consults and collaborates in their use.  We work to ensure the performance, usability, reliability, portability, and compatibility of mathematical software via demonstrations, testbeds, prototypes, reference implementations,  and the wide dissemination of information.  We also develop techniques, tools, and standards for representation, search, visualization, and exchange of mathematical objects and databases.

News and Updates


ASTRA: a Transition-Density-Matrix Approach to Molecular Ionization

Luca Argenti, Juan Martín Randazzo, carlos maranthe, Jeppe Olsen, Siddhartha Chattopadhyay, Barry I. Schneider
We describe ASTRA (AttoSecond TRAnsitions), a new close-coupling approach to molecular ionization that uses many-body transition density matrices between ionic



DLMF: Digital Library of Mathematical Functions

OOMMF: Object-Oriented Micromagnetic

OOF: Object-Oriented Finite Element Analysis of Materials with Complex Microstructure

PHAML: Parallel Hierarchical Adaptive Multi-Level Software for Partial Differential Equations

GAMS: Guide to Available Mathematical Software

Matrix Market: Database of sparse matrices for testing and evaluation of linear algebra software

SIAM Activity Group on Orthogonal Polynomials and Special Functions

Painlevé Project