Used By

Author:

Rohit Goswami

The following projects use pychum as a dependency or tool.

Libraries

rgpycrumbs

Dispatcher and core types for chemical physics. Uses pychum for NWChem and ORCA input generation.

chemparseplot

Parsers and plots for the same engines. Companion library: pychum writes inputs, chemparseplot reads outputs.

Academic Work

• Rohit Goswami, Efficient Exploration of Chemical Kinetics, Doctoral dissertation, University of Iceland, 2025. arXiv: 2510.21368, doi: 10.48550/arXiv.2510.21368. Uses pychum (formerly pychumpchem) for generating input files for transition state searches and band calculations.