Jobs in Computational Chemistry

Two PhD and one Postdoc positions are available starting from January 1st 2016 in the about to be established Swiss National Science Foundation (SNF) Professorship group of  Ulrich Aschauer  at the  Department of Chemistry and Biochemistry , University of Bern, Switzerland. The planned research will use density functional theory (DFT) to understand, at a fundamental level, the surface and defect chemistry of complex oxides in view of their application in the renewable energy domain. Complex oxides have, due to their large chemical and structural flexibility, recently gained much interest for these applications. Compared to simpler oxides such as TiO2, the understanding of their surface structure and chemistry is however still limited. The theoretical work carried out in this project is closely integrated with photo-electrochemical and surface science experiments at various institutions and will determine general trends for the reactivity as a function of the crystal structure a

A 4-year PhD position is available in the Centre for Doctoral Training in Theory and Simulation of Materials ( http://www.tsmcdt.org ) at Imperial College London on the topic of thermal transport in magnetic materials. This position is fully-funded for UK/EU students and is in collaboration with the Culham Centre for Fusion Energy. Applicants should have, or expect expect to obtain, a first class undergraduate degree in physics, or a related subject. The appointment is expected to start in October 2015. Applicants are encouraged to apply as soon as possible. For further information about the project please contact Dr Andrew Horsfield ( a.horsfield@imperial.ac.uk ) and Dr Sergei Dudarev ( sergei.dudarev@ccfe.ac.uk ). General admissions enquiries should be addressed to the Senior Administrator of the Centre for Doctoral Training, Ms Miranda Smith ( miranda.smith@imperial.ac.uk ). http://psi-k.net/jobs/phd-position-at-imperial-college-london

The “Novel Materials Discovery Center of Excellence (NoMaD CoE)” ( http://nomad-coe.eu ) is presently being established by 8 leading scientific institutions and 4 supercomputing centers. It relies, for example, on the “NoMaD Repository” ( http://nomad-repository.eu ) as a base, hosting already an enormous amount of materials data. For a brief summary, see the movie: https://www.youtube.com/watch? v=L-nmRSH4NQM We are looking for a software engineer (MA level) who is interested in interdisciplinary work in the areas of materials science, database systems, and data analytics. He/She will work on the overall NoMaD infrastructure. As a first step, he/she will focus on the improvement and the extension of the current NoMaD Repository. Later, he/she will be involved in the challenges related to the NoMaD CoE, at the intersection between materials science and computer science (Big Data, data management). The initial contract will be for 2 years, extension will be possible. The work requi

Two Postdoc positions in condensed Matter Theory CNRS and Universite P. et M. Curie, Paris, France Title: Optical, Transport and superconducting properties in 2D materials We are offering two postdoc positions (two years positions each) at the University P. et M. Curie in Paris. The positions are available from now and have to be filled within October 2015. The candidates will join the team "Theorie Quantique des Materiaux" at the Institut de Mineralogie et de Physique des Millieux Condendensees, CNRS and Universite P. et M. Curie in Paris. The candidates will work in the field of 2D materials composed by few atomic layers such as graphene and transition metal dichalcogenides. They will carry out first principles and analytical calculations to understand the physical properties of these materials, including understanding of optical data, investigation of charge density wave, superconductivity and metal-insulator transition. Ideally, the candidate should have a

A 12-month post-doc position is available starting from October 2015. The candidate will work with Fabio Pietrucci, A. Marco Saitta and François Guyot at the Institute of Mineralogy, Physics of Materials and Cosmochemistry (IMPMC) ( http://www.impmc.upmc.fr ) of the Université Pierre et Marie Curie in central Paris. The successful candidate must hold a PhD in Chemistry/Physics/Materials Science or related disciplines with a strong background in physical chemistry and statistical mechanics. An expertise in computer simulations and atomic-scale modelling of chemical or biochemical activated processes is required, together with computer programming skills. Previous experience in free energy calculation / transition path sampling approaches is highly desirable. The net salary will be close to 25,000 Eur/year. According to University's regulations eligible candidates must have received their PhD after October 2010. The candidate will apply and further develop advanced sampling tec