PhD position in geochemistry/atomistic modelling material science
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 mineralsl eading 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 ScherrerInstitute (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.
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 mineralsl eading 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 ScherrerInstitute (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
• 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 (sergey.churakov@geo.unibe.ch).
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).
motivation letter as a single PDF file to Prof. Sergey V. Churakov (sergey.churakov@geo.unibe.ch).
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).