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News and Updates

Neutrons by the Numbers

After years of research, scientists at the National Institute of Standards and Technology (NIST) have developed and

Strength in Numbers

NIST is building an infrastructure for advanced data integration and management that promotes scientific innovation in

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

Publications

Software

ThermoML Opener

PurposeA tool for direct viewing of ThermoML files which include data and metadata. ThermoML files conform to the new XML-based ThermoML IUPAC standard