The Institute of Geological Sciences (IfG, University of Bern, Switzerland) invites applications for a
SNF-funded PhD-project: “Dissolution, growth and ion uptake at phyllosilicate surfaces: Coupling
atomistic interactions at the mineral-water interface with Kinetic Monte Carlo model.”
Phyllosilicates and the clay minerals are ubiquitous in subsurface soils and sedimentary rocks. They
are formed as result of chemical and mechanical weathering of crystalline rocks or hydrothermal
alteration processes. Because of high sorption capacity the phyllosilicate minerals are responsible for
the uptake of heavy metals and other toxic pollutants. The entrapment mechanism of contaminants
onto the mineral surfaces is the primary factor determining their transport, deposition, reactivity and
eventually their toxicity.
This PhD project is aimed at developing an atomistic model for metal adsorption, as well as,
entrapment by dissolution and growth based on atomistic simulation techniques. The PhD student will
use molecular dynamics and Monte-Carlo simulations to model metal uptake by mineral surfaces. The
Kinetic Monte Carlo simulations will be applied to simulate dissolution and growth of clay minerals
leading to the structural entrapment of hazardous metals. The ultimate goal of the project is to use the
results of the modelling for the interpretation of available experimental wet chemistry and
spectroscopic data. The project is multi-disciplinary and will require interaction of the PhD student
with researchers from different fields. The PhD student will be employed in the Mineralogy Group
(http://www.geo.unibe.ch/mineralogy) of the Institute of Geological Sciences in Bern and interact
strongly with experimentalists working in the laboratory for Waste Management at the Paul Scherrer
Institute (www.psi.ch/les). The PhD student will have a unique opportunity to become an expert in
numerical simulations of geochemical processes using high performance computing and learn about
experimental studies at large scale experimental facilities such as Synchrotron Radiation Source SLS
at Paul Scherrer Institute.
Your profile:
• You have MSc degree (or equivalent) in geochemistry, chemistry or physics
• You are willing to become an expert in computer simulations of chemical reactions
• You have basic knowledge of computer programming
• You are interested in understanding geochemical phenomena at mineral surfaces
The position is available from 1.05.2016. Please send your application with the CV, references and a
motivation letter as a single PDF file to Prof. Sergey V. Churakov ([email protected]).
Applications will be accepted until the position is filled. For further information please contact Sergey
V. Churakov via mail or phone (+41 56 310 41 13/ ++41 31 631 8710).