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Numerical methods & software

News and Updates

Projects and Programs

Computational Chemistry

Ab initio computational chemistry is considered to be one of the holy grails of computational science. The benefits to society range from lighter, stronger

Simulation Management Tools

An important part of the MGI effort is providing infrastructure and tools to enable reproducible research in computational materials science. For reproducible

Publications

Software

Limits of Detection - ASTM E2677

ASTM subcommittee E54.01 has developed a Standard Test Method for the determination of Limit of Detection (LOD) in trace explosive detectors. The Method was

Network Modeling Software

This software is a set of NetworkX additions for the creation of graphs to model networks.Graphicality Testing -- This is a set of routines for testing if a

Tools and Instruments

Awards