i-PI 2.0: A universal force engine for advanced molecular simulations. - Venkat Kapil; Mariana Rossi; Ondrej Marsalek; Riccardo Petraglia; Yair Litman; Thomas Spura; Bingqing Cheng; Alice Cuzzocrea; Robert H. Meißner; David M. Wilkins; Benjamin A. Helfrecht; Przemyslaw Juda; et al. (Comput. Phys. Commun., 2019)

Improving Sample and Feature Selection with Principal Covariates Regression. - Rose K. Cersonsky; Benjamin A. Helfrecht; Edgar A. Engel; Michele Ceriotti (CoRR, 2020)

Structure-property maps with Kernel principal covariates regression. - Benjamin A. Helfrecht; Rose K. Cersonsky; Guillaume Fraux; Michele Ceriotti (Mach. Learn. Sci. Technol., 2020)

Improving sample and feature selection with principal covariates regression. - Rose K. Cersonsky; Benjamin A. Helfrecht; Edgar A. Engel; Sergei Kliavinek; Michele Ceriotti (Mach. Learn. Sci. Technol., 2021)