A flexible implementation of frozen-density embedding for use in multilevel simulations. - Christoph R. Jacob; Johannes Neugebauer; Lucas Visscher (J. Comput. Chem., 2008)

PyADF - A scripting framework for multiscale quantum chemistry. - Christoph R. Jacob; S. Maya Beyhan; Rosa E. Bulo; André Severo Pereira Gomes; Andreas W. Götz; Karin Kiewisch; Jetze Sikkema; Lucas Visscher (J. Comput. Chem., 2011)

MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. - Thomas Weymuth; Moritz P. Haag; Karin Kiewisch; Sandra Luber; Stephan Schenk; Christoph R. Jacob; Carmen Herrmann; Johannes Neugebauer; Markus Reiher (J. Comput. Chem., 2012)

Better Partitions of Protein Graphs for Subsystem Quantum Chemistry. - Moritz von Looz; Mario Wolter; Christoph R. Jacob; Henning Meyerhenke (SEA, 2016)

Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program. - Danny Schlüns; Mirko Franchini; Andreas W. Götz; Johannes Neugebauer; Christoph R. Jacob; Lucas Visscher (J. Comput. Chem., 2017)

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry. - Felipe Zapata 003; Lars Ridder; Johan Hidding; Christoph R. Jacob; Ivan Infante; Lucas Visscher (J. Chem. Inf. Model., 2019)

Data Set "Systematic partitioning of proteins for quantum-chemical fragmentation methods using graph algorithms". - Mario Wolter; Moritz von Looz; Henning Meyerhenke; Christoph R. Jacob (Zenodo, 2020)

A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions. - Johannes R. Vornweg; Mario Wolter; Christoph R. Jacob (J. Comput. Chem., 2023)