Semantic interoperability and characterization of data provenance in computational molecular engineering. - Martin Thomas Horsch; Christoph Niethammer; Gianluca Boccardo; Paola Carbone; Silvia Chiacchiera; Mara Chiricotto; Joshua D. Elliott; Vladimir Lobaskin; Philipp Neumann; Matthew Schiffels; Michael Seaton 001; Ilian T. Todorov; et al. (CoRR, 2019)

Ontology-based semantic interoperability on the Virtual Materials Marketplace. - Martin Thomas Horsch; Silvia Chiacchiera; Michael A. Seaton; Ilian T. Todorov; Ralf Kunze; Georg Summer; Andreas Fiseni; Barbara Andreon; Andrea Scotto di Minico; Esteban Bayro Kaiser; Gajanan Kanagalingam; Simon Stephan; et al. (ISWC (Demos/Industry), 2020)

Accelerating the Generalized Born with Molecular Volume and Solvent Accessible Surface Area Implicit Solvent Model Using Graphics Processing Units. - Xiping Gong; Mara Chiricotto; Xiaorong Liu; Erik B. Nordquist; Michael Feig; Charles L. Brooks III; Jianhan Chen (J. Comput. Chem., 2020)