Sonstiges
- seit 2015: Mitglied im Institutsvorstand
Auszeichnungen:
- 2020: LehrLeo-Award 2020 für das Computational Chemistry Research Lab
14: Structural Dependence of Extended Amide~III Vibrations in Two-Dimensional Infrared Spectra
Julia Brüggemann, Maria Chekmeneva, Mario Wolter, Christoph R. Jacob
Preprint Version
13: 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. 44 (2023), 1634-1644
Online Version Preprint Version
12: Accurate quantum-chemical fragmentation calculations for ion–water clusters with the density-based many-body expansion
Stefanie Schürmann, Johannes R. Vornweg, Mario Wolter, Christoph R. Jacob
Phys. Chem. Chem. Phys. 25 (2023), 736-748
Online VersionPreprint Version
11: Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI
Julia Brüggemann, Mario Wolter, Christoph R. Jacob
J. Chem. Phys. 157 (2022), 244107
Online VersionPreprint Version
10: Systematic partitioning of proteins for quantum-chemical fragmentation methods using graph algorithms
Mario Wolter, Moritz von Looz, Henning Meyerhenke, Christoph R. Jacob
J. Chem. Theory Comput. 17 (2021), 1355–1367
Online Version Preprint Version
9: A new ultrafast energy funneling material harvests three times more diffusive solar energy for GaInP photovoltaics
Marcel M. Willich, Lucas Wegener, Johannes Vornweg, Manuel Hohgardt, Julia Nowak, Mario Wolter, Christoph R. Jacob, and Peter Jomo Walla
PNAS 52 (2020), 32929–32938
Online Version PDF
8: Forschen will gelernt sein
Felix Brandt, Mario Wolter, Christoph R. Jacob
Nachr. Chem. 68 (2020), 24–26
Online Version
7: Position 123 of halohydrin dehalogenase HheG plays an important role in stability, activity, and enantioselectivity
Jennifer Solarczek, Thomas Klünemann, Felix Brandt, Patrick Schrepfer, Mario Wolter, Christoph R. Jacob, Wulf Blankenfeldt, Anett Schallmey
Sci. Rep. 9, 5106 (2019)
Online VersionPDF
6: Microsecond Simulation of Electron Transfer in DNA: Bottom-Up Parametrization of an Efficient Electron Transfer Model Based on Atomistic Details
Mario Wolter, Marcus Elstner, Ulrich Kleinekathöfer, Tomáš Kubař*
J. Phys. Chem. B 121 (2017), 529–549
Online Version
5: Better partitions of protein graphs for subsystem density-functional theory
Moritz von Looz, Mario Wolter, Christoph R. Jacob, Henning Meyerhenke
Proc. 15th Intl. Symposium on Experimental Algorithms (2016), 369–384
Online Version PDF
4: Charge Transport in DNA – Insights from Simulations
Mario Wolter
KIT Scientific Publishing
Karlsruhe, 2013
Online Version
3: Charge transport in desolvated DNA
Mario Wolter, Marcus Elstner, and Tomáš Kubař
J. Chem. Phys. 139 (2013), 125102
Online Version
2: Response of the electric conductivity of double-stranded DNA on moderate mechanical stretching stresses
Mario Wolter, P. Benjamin Woiczikowski, Marcus Elstner, Tomáš Kubař
Physical Review B 85 (2012), 075101
Online Version
1: On the Structure and Stretching of Microhydrated DNA
Mario Wolter, Marcus Elstner, Tomáš Kubař
J. Phys. Chem. A 115 (2011), 11238
Online Version
