Theses

Thesis P. H. Hünenberger

protected page Philippe Hünenberger
Molecular dynamics simulations using empirical force fields:
Principles and applications to selected systems of chemical and biochemical interest,
Thesis No 12052, ETH Zürich, February 1997.
Accepted on the recommendation of Prof. Dr. W.F. van Gunsteren, examiner, and Prof. Dr. R.R. Ernst, co-examiner
In view of its outstanding quality, this thesis was awarded the ETH silver medal.
(full text pdf in ETHZ e-collection)

Theses of the group

protected page Ulf Börjesson (defense on 25.2.2004)
Electrostatic interactions in computer simulations of biomolecular systems.
(abstract pdf in ETHZ e-collection)

protected page Mika Kastenholz (defense on 16.11.2005)
Electrostatic interactions in computer simulations of (bio-)molecular systems.
In view of its outstanding quality, Mika's thesis was awarded the ETH silver medal.
(abstract pdf in ETHZ e-collection)

protected page Tim Heinz (defense on 26.4.2006)
Computer simulation of molecular systems: New algorithms and selected applications.
(abstract pdf in ETHZ e-collection)

protected page Vincent Kräutler (defense on 7.6.2006)
Classical molecular dynamics simulation: Contributions to methodology development and applications to biomolecular systems.
(full text pdf in ETHZ e-collection)

protected page Lovorka Perić-Hassler (defense on 19.8.2009)
Computer simulations of carbohydrates.
(full text pdf in ETHZ e-collection)

protected page Maria Reif (defense on 15.12.2009)
Single-ion solvation properties using atomistic simulation.
In view of its outstanding quality, Maria's thesis was awarded the ETH silver medal.
(abstract pdf in ETHZ e-collection)

protected page Halvor Hansen (defense on 23.6.2010)
Enhanced conformational sampling in molecular dynamics simulations.
(abstract pdf in ETHZ e-collection)

protected page Monika Laner (defense on 9.4.2014)
Phase and phase-transition properties of mono- and diglyceride lipid bilayers investigated using molecular dynamics simulations.
(full text pdf in ETHZ e-collection)

protected page Noah Bieler (defense on 25.2.2015)
Configurational and alchemical free-energy calculations using molecular dynamics simulations.
(abstract pdf in ETHZ e-collection)

protected page Alice Lonardi (defense on 24.2.2016)
Solvent properties and their influence on carbohydrate conformation investigated using molecular dynamics simulations.
(full text pdf in ETHZ e-collection)

protected page Pascal Merz (defense on 15.6.2016)
Computer simulation of liquids: Force-field development, property calculation, and sampling from artificial ensembles.
(full text pdf in ETHZ e-collection)

protected page Pavel Oborský (defense on 27.09.2017)
Conformational properties of specific biomolecular systems investigated using molecular dynamics simulations.
(full text pdf in ETHZ e-collection)

protected page David Hahn (defense on 27.03.2019)
Development and application of free-energy calculation methods based on molecular dynamics simulations.
(full text pdf in ETHZ e-collection)

protected page Marina Oliveira Pereira (defense on 16.12.2020)
Systematic optimization of empirical force fields against experimental data for large compound families.
(full text pdf in ETHZ e-collection)

protected page Alžbeta Kubincová (defense on 07.07.2021)
Force field development and adaptive resolution methods for molecular dynamics simulations.
(full text in ETHZ e-collection)

Salomé Rieder (defense on 10.08.2022)
Development and application of novel force-field design and free-energy calculation approaches.
(full text pdf in ETHZ e-collection)