An Ontology and Semantic Web Service for Quantum Chemistry Calculations. - Nenad B. Krdzavac; Sebastian Mosbach; Daniel Nurkowski; Philipp Buerger; Jethro Akroyd; Jacob Martin; Angiras Menon; Markus Kraft (J. Chem. Inf. Model., 2019)

Linking reaction mechanisms and quantum chemistry: An ontological approach. - Feroz Farazi; Nenad B. Krdzavac; Jethro Akroyd; Sebastian Mosbach; Angiras Menon; Daniel Nurkowski; Markus Kraft (Comput. Chem. Eng., 2020)

Multiscale Cross-Domain Thermochemical Knowledge-Graph. - Sebastian Mosbach; Angiras Menon; Feroz Farazi; Nenad B. Krdzavac; Xiaochi Zhou; Jethro Akroyd; Markus Kraft (J. Chem. Inf. Model., 2020)