Christoph R. Jacob

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 5

Top Topics

Quantum Computation

Chemical Reactions

Density Function

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Johannes R. Vornweg, Mario Wolter, Christoph R. Jacob
A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions. J. Comput. Chem. 44 (18) (2023)
Felipe Zapata, Lars Ridder, Johan Hidding, Christoph R. Jacob, Ivan Infante, Lucas Visscher
QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry. J. Chem. Inf. Model. 59 (7) (2019)
Danny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program. J. Comput. Chem. 38 (4) (2017)
Moritz von Looz, Mario Wolter, Christoph R. Jacob, Henning Meyerhenke
Better partitions of protein graphs for subsystem quantum chemistry. CoRR (2016)
Moritz von Looz, Mario Wolter, Christoph R. Jacob, Henning Meyerhenke
Better Partitions of Protein Graphs for Subsystem Quantum Chemistry. SEA (2016)
Thomas Weymuth, Moritz P. Haag, Karin Kiewisch, Sandra Luber, Stephan Schenk, Christoph R. Jacob, Carmen Herrmann, Johannes Neugebauer, Markus Reiher
MOVIPAC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations. J. Comput. Chem. 33 (27) (2012)
Christoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher
PyADF - A scripting framework for multiscale quantum chemistry. J. Comput. Chem. 32 (10) (2011)
Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher
A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. 29 (6) (2008)