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PhD Thesis
Link:
Computational nanofluidics for the study of biomolecular flows
Main topics:
- Molecular interaction potentials within density functional theory
- Generalized steering for molecular dynamics
- Polarizability effects in the water-carbon interaction
- The curvature induced static dipole moment of carbon nanotubes: influence on transport, wetting and water structure
- RNA Transport through transmembrane carbon nanotubes
Refereed journal articles and book chapters
- U. Zimmerli, M. Parrinello and P. Koumoutsakos. Dispersion corrections to density functionals
for water aromatic interactions. J. Chem. Phys., 120 (6):2693--2699, 2004
- U. Zimmerli, M. Parrinello and P. Koumoutsakos. Dispersion corrected density functionals
applied to the water naphthalene cluster. Lect. Notes Comput. Sc., 39:205--214, 2004
- J. H. Walther, T. Werder, R. L. Jaffe, P. Gonnet, M. Berdorf, U. Zimmerli and P. Koumoutsakos.
Water-carbon interactions 3: the influence of surface and fluid impurities.
Phys. Chem. Chem. Phys., 6:1988--1995, 2004
- P. Koumoutsakos, U. Zimmerli, T. Werder and J. H. Walther. Nanoscale fluid mechanics.
In Akhlesh Lakhtakia, editor, The Handbook of Nanotechnology. Nanometer Structures: Theory, Modeling and Simulation, chapter 8, pages 319--393, SPIE/ASME, 2004
- U. Zimmerli, P. G. Gonnet, J. H. Walther and P. Koumoutsakos.
Curvature induced L-defects in water conduction in carbon nanotubes.
Nano Letters, 5 (6):1017--1022, 2005
- U. Zimmerli and P. Koumoutsakos.
Simulations of Electrophoretic RNA Transport Through Transmembrane Carbon Nanotubes.
Biophys. J., 94:2546--2557, 2005
Reports
- R. L. Jaffe, U. Zimmerli, J. H. Walther, P. Koumoutsakos,
Interaction of Alkanamines and Other Small Molecules with Carbon Nanotubes,
ETH CoLab Annual Research Briefs, 19-24, 2004
- J. H. Walther, U. Zimmerli, P. Gonnet, P. Koumoutsakos,
Carbon nanotubes as nanopores -- influence of the static dipole moment,
ETH CoLab Annual Research Briefs, 137-148, 2004
- R. L. Jaffe, J. H. Walther, U. Zimmerli, P. Koumoutsakos,
Modeling the interaction Between Ethylene Diamine and Water Films on the Surface of a
Carbon Nanotube, NASA technical report, NASA Ames Research Center, 2004
Talks and Conference Proceedings
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U. Zimmerli, P. Koumoutsakos, Nanofluidics of Carbon Nanotubes:
Towards the Development of Nanoscale Biosensors,
Proceedings of the Fifth World Congress on Computational Mechanics, (WCCM V),
July 7 - 12, 2002, Vienna, Austria
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P. Gonnet, U. Zimmerli, J. H. Walther, T. Werder, P. Koumoutsakos,
Wetting and Hydrophobicity of Nanoscale Systems with Impurities,
Nanotech, 3, 69-72, 2004
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U. Zimmerli, P. Koumoutsakos, M. Parrinello,
Bounds for water graphite interaction from DFT,
Program of the CPMD 2003 conference, page 66
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P. Koumoutsakos, J. H. Walther, T. Werder, U. Zimmerli, R. L. Jaffe,
Potential energy calibration for molecular dynamics simulations
using experiments and quantum system calculations,
225th ACS National Meeting,
Meeting Abstract 023-COMP (Computational Nanotechnology),
23-27 March 2003, New Orleans, USA.
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J. H. Walther, T. Werder, U. Zimmerli, P. Koumoutsakos,
Molecular fluid mechanics of carbon nanotubes,
New Horizons in Molecular Sciences and Systems:
An Integrated Approach, 16-18 October 2003, Nago City, Okinawa, Japan, page 20
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P. Koumoutsakos, U. Zimmerli, J. H. Walther,
Simulations of carbon nanotubes in aqueous environments,
ASME International Mechanical Engineering Congress, 15-21 November 2003,
Washington, D.C., USA
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U. Zimmerli, M. Parinello and P. Koumoutsakos,
Dispersion corrections for density functionals, at
the Theoretical Chemistry Seminar, University of Zürich,
April 28, 2004, Zürich, Switzerland.
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R. Jaffe, J. H. Walther, U. Zimmerli, P. Koumoutsakos,
Modeling the Interaction Between Ethylene Diamine and Water
Films on the Surface of a Carbon Nanotube,
206th Joint International Meeting of the Electrochemical Society,
3 - 8 October 2004, Honolulu, Hawaii.
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U. Zimmerli, J. H. Walther, Thermophoresis between Solids: A Molecular
Dynamics Study of Gold
Nanoparticles Confined and Thermally Driven through Carbon Nanotubes,
eChemInfo InterAction Meeting, November 10, 2005, Basel, Switzerland
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U. Zimmerli and P. Koumoutsakos, RNA Transport through Carbon Nanotube Transmembrane Nanopores.
Micro and Nano Science Platform, Industry Day, September 04, 2006, Zurich, Switzerland
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U. Zimmerli and P. Koumoutsakos, RNA Transport through Carbon Nanotube Transmembrane Nanopores.
MRC Symposium, June 29, 2006, Zurich, Switzerland
Master Thesis
Semester Projects
- "Simulation of a batch reactor" in Dynamic behaviour of process systems, 4th
year chemical engineering at Imperial College, upon request.
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Gestaltung von Anreizsystemen zur Optimierung der Zulieferer-Abnehmer-Beziehung
Seminar "Kostenmanagement in der Supply Chain", FernUniversität Hagen:
Text,
Vortrag.
Other Stuff
Physics lecture notes:
A Java class to convert a gregorian date into its modified julian counterpart
and to calculate the difference in days between two dates:
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