Project: Capillary effects in carbon nanotubes (CNTs) (Supervisors: Prof. Dr.-Ing. Robert Meißner, Prof. Dr. rer. nat. Patrick Huber, Visiting Scientist Prof. Gennady Gor).

Description: Modeling, simulation and, where appropriate, experiments to study the nanofluidics of nanoporous materials using molecular dynamics simulation at constant electric potential using the LAMMPS software and/or ab initio codes like VASP or CP2K in combination with advanced simulation methods to calculate free energies, such as metadynamics or umbrella sampling. The project will consider different pore geometries in the simulation and investigate the influence of ion concentration. Experiments performed in Prof. Huber's group will validate the results of the simulations as much as possible.

Requirements: Completed university studies (Dipl., M. Sc. or comparable) in materials science or physics/chemistry, Good knowledge of English and preferably some basic knowledge of German. Preferably you already have experience in laboratory work and/or in the above mentioned numerical simulation methods as well as the motivation to do a PhD in 3 years in an interdisciplinary environment.

Contact for inquiries: Prof. Dr.-Ing. Robert Meißner (phone: +49 40 42878 2580; e-mail: [email protected])