TY - JOUR A1 - Haack, Fiete A1 - Röblitz, Susanna A1 - Scharkoi, Olga A1 - Schmidt, Burkhard A1 - Weber, Marcus T1 - Adaptive Spectral Clustering for Conformation Analysis JF - AIP Conference Proceedings Y1 - 2010 UR - http://link.aip.org/link/?APC/1281/1585/1 U6 - https://doi.org/10.1063/1.3498116 VL - 1281 IS - 1 SP - 1585 EP - 1588 PB - AIP ER - TY - JOUR A1 - Schäfer-Bung, B. A1 - Hartmann, Carsten A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - Dimension reduction by balanced truncation JF - J. Chem. Phys. Y1 - 2011 UR - http://publications.imp.fu-berlin.de/1023/ VL - 135 IS - 1 SP - 014112 ER - TY - JOUR A1 - Marsalek, Ondrej A1 - Frigato, Tomaso A1 - VandeVondele, Joost A1 - Bradforth, Stephen E. A1 - Schmidt, Burkhard A1 - Schütte, Christof A1 - Jungwirth, Pavel T1 - Hydrogen Forms in Water by Proton Transfer to a Distorted Electron JF - J. Phys. Chem. B Y1 - 2010 UR - http://publications.imp.fu-berlin.de/818/ U6 - https://doi.org/10.1021/jp908986z VL - 114 IS - 2 SP - 915 EP - 920 ER - TY - JOUR A1 - Frigato, Tomaso A1 - VandeVondele, Joost A1 - Schmidt, Burkhard A1 - Schütte, Christof A1 - Jungwirth, Pavel T1 - Ab Initio Molecular Dynamics Simulation of a Medium-Sized Water Cluster Anion JF - J. Phys. Chem. A Y1 - 2008 UR - http://publications.imp.fu-berlin.de/13/ U6 - https://doi.org/10.1021/jp711545s VL - 112 IS - 27 SP - 6125 EP - 6133 ER - TY - JOUR A1 - Antony, Jens A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - Nonadiabatic Effects on Peptide Vibrational Dynamics Induced by Conformational Changes JF - J. Chem. Phys. Y1 - 2005 UR - http://publications.imp.fu-berlin.de/57/ U6 - https://doi.org/10.1063/1.1829057 VL - 122 IS - 1 SP - 014309 ER - TY - JOUR A1 - Horenko, Illia A1 - Weiser, Martin A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - Fully Adaptive Propagation of the Quantum-Classical Liouville Equation JF - J. Chem. Phys. Y1 - 2004 UR - http://publications.imp.fu-berlin.de/65/ U6 - https://doi.org/10.1063/1.1691015 VL - 120 IS - 19 SP - 8913 EP - 8923 ER - TY - CHAP A1 - Meerbach, E. A1 - Schütte, Christof A1 - Horenko, Illia A1 - Schmidt, Burkhard ED - Kühn, O. ED - Wöste, L. T1 - Metastable Conformational Structure and Dynamics T2 - Analysis and Control of Ultrafast Photoinduced Reactions Y1 - 2007 UR - http://publications.imp.fu-berlin.de/114/ U6 - https://doi.org/10.1007/978-3-540-68038-3_9 VL - 87 SP - 796 EP - 806 PB - Springer CY - Berlin ER - TY - JOUR A1 - Nettesheim, Peter A1 - Bornemann, Folkmar A. A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - An Explicit and Symplectic Integrator for Quantum-Classical Molecular Dynamics JF - Chem. Phys. Lett. Y1 - 1996 UR - http://publications.imp.fu-berlin.de/101/ U6 - https://doi.org/10.1016/0009-2614(96)00471-X VL - 256 IS - 6 SP - 581 EP - 588 ER - TY - JOUR A1 - Horenko, Illia A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - Multidimensional Classical Liouville Dynamics with Quantum Initial Conditions JF - J. Chem. Phys. Y1 - 2002 UR - http://publications.imp.fu-berlin.de/73/ U6 - https://doi.org/10.1063/1.1498467 VL - 117 IS - 10 SP - 4643 EP - 4650 ER - TY - JOUR A1 - Horenko, Illia A1 - Salzmann, Ch. A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - Quantum-Classical Liouville Approach to Molecular Dynamics JF - J. Chem. Phys. Y1 - 2002 UR - http://publications.imp.fu-berlin.de/75/ U6 - https://doi.org/10.1063/1.1522712 VL - 117 IS - 24 SP - 11075 EP - 11088 ER - TY - JOUR A1 - Horenko, Illia A1 - Schmidt, Burkhard A1 - Schütte, Christof T1 - A Theoretical Model for Molecules Interacting with Intense Laser Pulses JF - J. Chem. Phys. Y1 - 2001 UR - http://publications.imp.fu-berlin.de/79/ U6 - https://doi.org/10.1063/1.1398577 VL - 115 IS - 13 SP - 5733 EP - 5743 ER -