Mechanical properties and elastic constants of atomistic systems through the stress-fluctuation formalism. - Evangelos Voyiatzis (Comput. Phys. Commun., 2013)

A geometric approach to identify cavities in particle systems. - Evangelos Voyiatzis; Michael C. Böhm; Florian Müller-Plathe (Comput. Phys. Commun., 2015)

An open-source implementation of a quasi harmonic approach to compute the intramolecular entropy of particle systems. - Evangelos Voyiatzis; Michael C. Böhm (Comput. Phys. Commun., 2019)