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2020 – today
- 2023
[j6]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): 1634-1644 (2023)
2010 – 2019
- 2019
- [j5]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): 3191-3197 (2019) - 2017
- [j4]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): 238-249 (2017) - 2016
- [c1]Moritz von Looz, Mario Wolter, Christoph R. Jacob, Henning Meyerhenke:
Better Partitions of Protein Graphs for Subsystem Quantum Chemistry. SEA 2016: 353-368 - [i1]Moritz von Looz, Mario Wolter, Christoph R. Jacob, Henning Meyerhenke:
Better partitions of protein graphs for subsystem quantum chemistry. CoRR abs/1606.03427 (2016) - 2012
- [j3]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): 2186-2198 (2012) - 2011
- [j2]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): 2328-2338 (2011)
2000 – 2009
- 2008
- [j1]Christoph R. Jacob, Johannes Neugebauer, Lucas Visscher:
A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. 29(6): 1011-1018 (2008)
Coauthor Index
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