Open positions related to CP2K can be posted on this page. Update status as needed.

The Army Research Laboratory has one immediate postdoctoral fellow opening in the area of modelling of solid state electron transport. The position will be located at Aberdeen Proving Grounds, MD.

The successful candidate will work on projects in the area of method development and applications of computational modeling to electron transport across material interfaces. The ideal candidate will have extensive experience in development and validation of electronic structure (DFT/DFTB) modeling of electron transport.

The project will primarily focus on method development and implementation, but will also involve application of the existing DFT/DFTB software. Good working knowledge of DFT/DFTB modelling software (especially CP2K, but also VASP, QE, g09 or similar). Due to the collaborative nature of the project excellent communication and collaboration skills are essential.

Applicants should have Ph.D. in electrical engineering or computational chemistry, chemical physics, materials science, or a related discipline.

Applicants should submit, via e-mail to Dr. B. Christopher Rinderspacher (berend.c.rinderspacher.civ@mail.mil) a cover letter with a description of their research experience and interests, full CV that includes a list of publications and detailed summary of computational chemistry and programming skills. The names, e-mail addresses and phone numbers of three references should also be provided.

The appointment is for up to three years (renewable annually).

A one-year postdoctoral position is available at the University of Lincoln for a project with Dr. Matt Watkins on extensions to the existing TDDFT functionality in CP2K. Funding is from the ARCHER eCSE programme, and is primarily aimed at software development. Support and collaboration with Iain Bethune (EPCC, Edinburgh) is expected.

Further details and the application form can be found at https://jobs.lincoln.ac.uk/vacancy.aspx?ref=COS184A.

Two postdoctoral positions are available immediately for a joint project on linear scaling electronic structure methods between the University of Zurich (Prof. Juerg Hutter, Department of Chemistry) and ETH Zurich (Prof. Joost VandeVondele, Department of Materials), funded by the Swiss Platform for Advanced Scientific Computing ( PASC ).

Within the project an open-source library for sparse matrix multiplication ( DBCSR ) [3] will be further developed. Functionality implemented in the DBCSR library will be used to improve performance and scalability of the linear scaling DFT code within the CP2K program package. The same numerical algorithms will also be applied for reduced scaling methods for wavefunction based correlation schemes (RPA, MP2), see e.g. [1,2] for an overview.

The positions are initially for one year, but funding is available for planned extensions.

The candidate will need excellent knowledge in development of computational algorithms with experience in parallel computing or software engineering and a basic background in physics or chemistry. He/she must be willing to engage with the community and drive the project towards a public release. Experience with large software projects or electronic structure methods is an advantage.

Please apply to Juerg Hutter (hutter@chem.uzh.ch) and Joost VandeVondele (Joost.VandeVondele@mat.ethz.ch), including a CV, a brief summary of your competence or achievements in the field, and a list of two references.

The position remains open till suitable candidates have been found.

• [1] Joost VandeVondele et al., JCTC 8, 3565-3573 (2012)
• [2] Mauro Del Ben et al., JCTC 9, 2654-2671 (2013)
• [3] Urban Borstnik et al. ASAP parallel computing