Johannes Neugebauer

Publication Activity (10 Years)

Years Active: 2002-2018
Publications (10 Years): 2

Top Topics

Computer Programs

Massively Parallel

Quantum Computation

Top Venues

J. Comput. Chem.

Publications

Jan P. Unsleber, Thomas Dresselhaus, Kevin Klahr, David Schnieders, Michael Böckers, Dennis Barton, Johannes Neugebauer
Serenity: A subsystem quantum chemistry program. J. Comput. Chem. 39 (13) (2018)
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)
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, Johannes Neugebauer, Lucas Visscher
A flexible implementation of frozen-density embedding for use in multilevel simulations. J. Comput. Chem. 29 (6) (2008)
Carmen Herrmann, Johannes Neugebauer, Markus Reiher
QM/MM vibrational mode tracking. J. Comput. Chem. 29 (14) (2008)
Johannes Neugebauer, Markus Reiher
Vibrational center-ligand couplings in transition metal complexes. J. Comput. Chem. 25 (4) (2004)
Johannes Neugebauer, Markus Reiher, Carsten Kind, Bernd A. Hess
Quantum chemical calculation of vibrational spectra of large molecules - Raman and IR spectra for Buckminsterfullerene. J. Comput. Chem. 23 (9) (2002)