Christoph R. Jacob

According to our database, Christoph R. Jacob authored at least 7 papers between 2008 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

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

2019

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry.

Felipe Zapata, Lars Ridder, Johan Hidding, Christoph R. Jacob, Ivan Infante, Lucas Visscher

J. Chem. Inf. Model., 2019

2017

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

2016

Better Partitions of Protein Graphs for Subsystem Quantum Chemistry.

Moritz von Looz, Mario Wolter, Christoph R. Jacob, Henning Meyerhenke

Proceedings of the Experimental Algorithms - 15th International Symposium, 2016

2012

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

2011

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

2008

A flexible implementation of frozen-density embedding for use in multilevel simulations.

Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher

J. Comput. Chem., 2008