Elegant, instructive examples of functional programming. Supposed to be fun, and teach important programming techniques and fundamental design principles. Traditionally appear in Journal of Functional Programming, and at ICFP and affiliated workshops.
This article uses a high school science class to see how language was used to connect theory and practice. It draws on classroom data analysed from a functional linguistic perspective, exploring the nature of science as a socially constructed practice.
The Computational Chemistry Comparison and Benchmark Database (CCCBDB) contains links to experimental and computational thermochemical data for a selected set of gas-phase atoms and molecules as well as tools for comparing experimental and computational ideal-gas thermochemical properties.
PyQuante is an open-source suite of programs for developing quantum chemistry methods. The program is written in the Python programming language, but has many "rate-determining" modules also written in C for speed.