Web- and Cloud-based Software Infrastructure for Materials Design. - János Sallai; Gergely Varga; Sara Toth; Christopher R. Iacovella; Christoph Klein 003; Clare McCabe; Ákos Lédeczi; Peter T. Cummings (ICCS, 2014)

A Hierarchical, Component Based Approach to Screening Properties of Soft Matter. - Christoph Klein 003; János Sallai; Trevor J. Jones; Christopher R. Iacovella; Clare McCabe; Peter T. Cummings (FOMMS, 2015)

Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. - Michael R. Shirts; Christoph Klein 003; Jason M. Swails; Jian Yin 005; Michael K. Gilson; David L. Mobley; David A. Case; Ellen D. Zhong (J. Comput. Aided Mol. Des., 2017)

Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset. - Michael R. Shirts; Christoph Klein 003; Jason M. Swails; Jian Yin 005; Michael K. Gilson; David L. Mobley; David A. Case; Ellen D. Zhong (J. Comput. Aided Mol. Des., 2017)