University of Bremen                                          Hybrid Materials Interfaces Group Fachbreich Produktionstechnik

HMI Group

Susan Köppen








1. F. Balzaretti, M. von Einem, L. Gerhards, W. Dononelli, T. Stauch, Th. Klüner, S. Köppen
Charge-Transfer Promoted Fixation of Glyphosate on TiO2 - a Multiscale Approach
(2021) chemrxiv.14465436


29. A. Avdoshin, V. Naumov, L. Colombi Ciacchi, S. Ignatov, S. Köppen
Atomistic simulations of chitosan as possible carrier system for miRNA transport
Materials Advances, (2023) Full text
28. V. Gupta, F. Balzaretti, P. Gou, S. Köppen, Th. Frauenheim, A. Dominguez Garcia
NO Degradation on the Anatase TiO2 (001) Surface in the Presence of Water
Journal of Physical Chemistry C 126, 17544-17553 (2022) Full text; ChemRxiv
27. S.M. Ayala Mariscal, M.L.Pigazzini, Y. Richter, M. Özel, I.L. Grothaus, J. Protze, K. Ziege, M. Kulke, M. ElBediwi, J. Vermaas, L. Colombi Ciacchi, S. Köppen, F. Liu, J. Kirstein
Identification of a HTT-specific binding motif in DNAJB1 essential for suppression and disaggregation of HTT
Nature Communications 13, 4692 (2022) Full text ; Blog post
26. S. Stamboroski, K. Boateng, J. Lierath, Th. Kowlaik, K. Thiel, S. Köppen, M. Noeske, D. Brüggemann
Influence of divalent metal ions on the precipitation of the plasma protein fibrinogen
Biomacromolecules 22, 4642-4658 (2021) Full text
25. F. Balzaretti, V. Gupta, L. Colombi Ciacchi, B. Aradi, T. Frauenheim, S. Köppen
Water reactions on reconstructed rutile TiO2: a DFT / DFTB approach
The Journal of Physical Chemistry C 125, 13234-13246 (2021) Full text
24. S. Stamboroski, A. Joshi, M. Noeske, S. Köppen, D. Brüggemann
Principles of Fibrinogen Fiber assembly in vitro
Macromolecular Bioscience 21 (5), 2000412 (2021) Full text
23. M. Kulke, M. Uhrhan, B. Ohler, N. Geist, D. Brüggemann, W. Langel, S. Köppen
Phosphorylation of fibronectin influences the structural stability of the predicted interchain domain
Journal of Chemical Information and Modelling 59, 4383-4392 (2019) Full text
22. M. Michaelis, A. Fayyaz, M. Parambath, S. Köppen, L. Colombi Ciacchi, Q. Hanley, C. Perry
A platform for screening abiotic/biotic interactions using indicator displacement assays
Langmuir 35, 14230-14237 (2019) Full text
21. I. Buchholz, P. Nestler, S. Köppen, M. Delcea
Lysine residues control the conformational dynamics of beta 2-glycoprotein I
Physical Chemistry Chemical Physics 20, 26819-26829 (2018) Full text
20. N. Hildebrand, M. Michaelis, N. Wurzler, Z. Li, J.D. Hirst, A. Micsonai, J. Kardos,
A. Gil-Ley, G. Bussi, S. Köppen, M. Delle Piane, L. Colombi Ciacchi
Atomistic details of chymotrypsin conformational changes upon adsorption on silica
ACS Biomaterials Science & Engineering 4, 4036-4050 (2018) Full text
19. N. Hildebrand, G. Wei, S. Köppen, L. Colombi Ciacchi
Simulated and experimental force spectroscopy of lysozyme on silica
Physical Chemistry Chemical Physics 20, 19595-19605 (2018) Full text
18. S. Lid, S. Köppen, L. Colombi Ciacchi
Creation of models and parametrization of a classical force field for amorphous Al2O3/water interfaces based on density functional theory
Computational Materials Science 140, 307-314 (2017) Full text
17. L. Derr, N. Hildebrand, S. Köppen, S. Kunze,
L. Treccani, R. Dringen, K. Rezwan, L. Colombi Ciacchi
Physisorption of α-chymotrypsin on SiO2 and TiO2: A comparative
study via experiments and molecular dynamics simulations
Biointerphases 11, 011007 (2016) Full text
16. N. Hildebrand, S. Köppen, L. Derr, K. Li, M. Koleini, K. Rezwan, L. Colombi Ciacchi
Adsorption orientation and binding motifs of lysozyme
and chymotrypsin on amorphous silica
Journal of Physical Chemistry C 119, 7295-7307 (2015) Full text
15. S. große Holthaus, S. Köppen, T. Frauenheim, L. Colombi Ciacchi
Molecular dynamics simulations of the amino acid-ZnO (10-10) interface:
A Comparison between DFT and DFTB results
Journal of Chemical Physics 140, 234707 (2014) Full text
14. A. Dominguez Garcia, S. große Holthaus, S. Köppen, T. Frauenheim, A. Da Rosa
The role of water co-adsorption on the modification of ZnO nanowires with acetic acid
Physical Chemistry Chemical Physics 16, 8509-8514 (2014) Full text
13. W. Friedrichs, S. Köppen, W. Langel
Titanium binding dodecapeptides and the impact of water structure
Surface Science 617, 42-52 (2013) Full text
12. G. Wei, S. Steckbeck, S. Köppen, L. Colombi Ciacchi
Label-free biosensing with single-molecule force spectroscopy
Chemical Communications 49, 3239-3241 (2013)
11. F. Meder, J. Wehling, A. Fink, B. Piel, K. Li, K. Frank, A. Rosenauer,
L. Treccani, S. Köppen, A. Dotzauer, K. Rezwan
The role of surface functionalization of colloidal alumina particles
on their controlled interactions with viruses
Biomaterials 34, 4203-4213 (2013) Full text
10. S. große Holthaus, S. Köppen, T. Frauenheim, L. Colombi Ciacchi
Atomistic simulations of the ZnO(1-210)/water interface: A comparison
between first-principles, tight-binding and empirical methods
Journal of Chemical Theory and Computation 8, 4517-4526 (2012) Full text
9. M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W. G. Schmidt
Fingerprints of order and disorder in the electronic and optical
properties of crystalline and amorphous TiO2
Physical Review B 86, 064201 (2012) Full text
8. A. Butenuth, G. Moras, J. Schneider, M. Koleini, S. Köppen,
R. Meißner, L. B. Wright, T. R. Walsh, L. Colombi Ciacchi
Ab-initio derived force-field parameters for molecular dynamics
simulations of deprotonated amorphous-SiO2/water interfaces
Physica Status Solidi (b) 249, 292-305 (2012) (Back Cover) Full text
7. W. Friedrichs, B. Ohler, W. Langel, S. Monti, S. Köppen
Adsorption of collagen nanofibrils on rough TiO2: A molecular dynamics study
Advanced Engineering Materials 13, B334-B342 (2011) (Inside Front Cover) Full text
6. Y. L. Zhao, S. Köppen, T. Frauenheim
An SCC-DFTB/MD study of the adsorption of zwitterionic glycine on a geminal hydroxylated silica surface in an explicit water environment
Journal of Physical Chemistry C 115, 9615-9621 (2011) Full text
5. S. Köppen, W. Langel
Simulation of adhesion forces and energies of peptides on titanium dioxide surfaces
Langmuir 26, 15248-15256 (2010) Full text
4. S. Köppen, O. Bronkalla, W. Langel
Adsorption Configurations and Energies of Amino Acids on Anatase and Rutile Surfaces
Journal of Physical Chemistry C 112, 13600-13606 (2008) Full text
3. S. Köppen, W. Langel
Adsorption of small organic molecules on anatase and rutile Surfaces: A theoretical study
Physical Chemistry Chemical Physics 10, 1907-1915 (2008) Full text
2. S. Köppen, B. Ohler, W. Langel
Adsorption of Collagen Fragments on Titanium Oxide Surfaces: A Molecular Dynamics Study
Z. Phys. Chem. 221, 3-20 (2007) Full text
1. S. Köppen, W. Langel
Simulation of the Interface of (100) rutile with aqueous ionic solution
Surface Science 600, 2040-2050 (2006) Full text

Proceedings and other articles

1. L. Colombi Ciacchi, S. Köppen
Nanoscale properties of solid-liquid interfaces
Encyclopedia of Nanotechnology, Part 14, 1728-1733
Edited by B. Bhushan, Springer Verlag (2012) Full Text

Invited Talks

6. Modelling of hybrid interfaces: Does water play a role?
IN2UB Seminar – Interfaces and Surfaces, University of Barcelona, Barcelona, Spain, October 2022
5. Wohl definierte Grenzen - anziehende und abstoßende Effekte an hybriden Grenzflächen bis auf das letzte Atom genau
Bionik Seminar Hochschule Bremen (virtual), Bremen, Germany, January 2020
4. Ein Physiker auf dem Weg zur wahren Matrix
Colloquium on the occasion of the farewell of my Doctor Father Prof. Dr. Walter Langel, Greifswald, Germany, April 2019
3. Biomolecular Adsorption on Oxide Surfaces: What do Hybrid Materials Interfaces look like?
Seminar talk at Max Planck Institue for Polymer Research, Mainz, Germany, November 2012
2. Theoretical investigation of biofunctionalized oxide surfaces
Thermec - International Conference on Processing and Manufacturing of Advanced Materials, Quebec City, Canada, August 2011
1. Bio-functionalization of Technically Relevant Oxide Surfaces: A Theoretical Approach
EMRS Spring Meeting "Bioinspired and biointegrated materials as new frontiers nanomaterials II" Nice, France, May 2011

Conference Talks

15. S. Köppen
About the interaction of (bio)molecules and materials surfaces in aqueous ionic solutions – an atomistic study
Annual Meeting of the European Molecular Liquids Group (EMLG), Barcelona, Spain, September 2022
14. S. Köppen, Dorothea Brüggemann
Induction of in vitro fibronectin fiber assembly: an in silico study
6th BioMAT (virtual), May 2021
13. S. Köppen, Dorothea Brüggemann
Atomistic understanding of fibronectin adsorption on ceramic surfaces
MSE congress (virtual), September 2020
12. Myriam Uhrhan, Martin Kulke, Norman Geist, Walter Langel, Dorothea Brüggemann, S. Köppen
Atomistic Insights into the Adhesive Properties of Individual Fibronectin Modules
International Conference on Adhesion in Aqueous Media: From Biology to Synthetic Materials organized by the Leibnitz Institute for Polymer Research, Dresden, Germany, September 2019
11. S. Köppen
Biomolecular Adsorption on Oxide Surfaces: A Theoretical Approach
SSBII Surface Science of Biology Important Interfaces, Manchester, UK, October 2012
10. S. KÖppen, K. Li, L. Colombi Ciacchi
Comparative analysis of the adsorption of chymotrypsin on two oxide materials surfaces with opposite charge
EMRS Fall Meeting, Warzwa, Poland, September 2012
9. W. Friedrichs, B. Ohler, W. Langel, S. Monti, S. Köppen
bioadsorption properties of tropocollagen like molecules onto rough titania surfaces
Euro BioMat "European Symposium on Biomaterials and Related Areas" Jena, Germany, April 2011
8. S. Köppen, W. Friedrichs, L. Colombi Ciacchi, W. Langel
Simulation of the adsorption of collagen like peptides on titianium dioxide
EMRS Spring Meeting "Functional Biointerfaces" Strasbourg, France, June 2010
7. S. Köppen, L. Colombi Ciacchi, W. Langel
Energetics of Peptide Adsorption on Titanium Dioxide Surfaces
PROSURF workshop "Protein Surface Interactions" Sestri Levante, Italy, June 2009
6. S. Köppen, W. Friedrichs, B. Ohler, S. Monti, W. Langel
Collagen on Titanium Dioxide Surfaces: A Refined Computer Model for the Interaction of Triplehelix and Telopeptide with Titanium Dioxide Layers
3rd International Symposium "Interface Biology Of Implants" Rostock, Germany, May 2009
5. S. Köppen, W. Langel
Simulations on the Adhesion Energetics of Peptides and Titanium Dioxide Surfaces
ESF workshop "Challenges in modelling the interface between biomolecules and inorganic surfaces" Mainz, Germany, March 2009
4. S. Köppen, W. Langel
Atomistische Simulation der Wechselwirkung von Kollagen mit titanimplantaten in biologischer Lösung
4th workshop "Biomaterialien" of the Mineralische und Technische Kristallographie and Deutsche Gesellschaft für Kristallographie, Halle, Germany, October 2008
3. S. Köppen, W. Langel
Calculations on the Adsorption of Special Functional Groups on Titanium Dioxides:
Amino, Imidazole and Carboxyl
COST Action D41 of WG2, Verbania, Italy, April 2008
2. S. Köppen
Simulation der Adäsion von kleinen Biomolekülen (Di- und tripeptiden) auf Titandioxidoberflächen
DFG Workshop (Nachwuchsakademie Materialwissenschaft & Werkstofftechnik "Computational Materials Science - Grenzflächen und Grenzflächendominierte Prozesse"), St. Mergen, Germany, March 2008
1. S. Köppen, B. Ohler, W. Langel
Neue Ansätze zur Simulation von Adsorptions- und Oberflächenenergien auf Anatas und Rutil
106th Bunsen Meeting, Graz, Austria, May 2007