Doctoral Researcher

**The group of Prof. Dr. Michael Moseler at the Institute of Physics is looking for a Doctoral Researcher (M/F/d)**
- Bewerbungsfrist: 25.05.2023
- Veröffentlicht: 25.04.2023
- Start-date: At the earliest possible date.
- Fulltime position
- Kennziffer: 00002979

**Beschreibung**:
The consortium, coordinated by Toyota Motor Europe NV, comprises universities, research institutions and companies located in the UK, Belgium, Austria, Serbia, Greece, France, Italy, Spain, and Germany.

The funding provided by the Marie Skłodowska-Curie Action (MSCA) will last for 36 months. The DC will spend the first 18 months at Simune Atomistics (the industrial employer) (San Sebastian, Spain) and the second 18 months at the University of Freiburg (the academic employer) (Freiburg, Germany). Highly qualified personnel from both employers will jointly coach the PhD student.

Within the 36 months project-period, the DC will spend a one-month secondment at the Imperial College of London (ICL), and a one-month secondment at Freudenberg Technology Innovation company (FTI).

The PhD student will be enrolled in a doctoral programme at the University of Freiburg.

**The industrial employer**:
SIMUNE is a software manufacturing company producing scientific software solutions based on quantum mechanical and atomistic approaches. SIMUNE has a strategic partnership with the developers of SIESTA code, offering support, training, and future development of the SIESTA code to facilitate materials design challenges.

**The academic employer**:
The University of Freiburgis one of the oldest German universities and one of the nation’s leading research and teaching institutions (ca. 25,000 students from more than 100 nations), as evidenced by its membership in the League of European Research Universities (LERU). It actively fosters interdisciplinary research and offers cutting edge research facilities and world class science in all academic fields.

The PhD student will be hosted by Prof. Moseler’s group “Functional Nanosystems” which has as relevant background a longstanding expertise in the ab initio simulation and modelling of the structural and catalytic properties of metal clusters and other nanostructures, the development and implementation of new simulation methods as well as the investigation of energy materials.

**Responsibilities**

In the context of Blessed MSCA, the DC will contribute to the development of a highly efficient DFT code to simulate electrochemical reactions at large-scale interfaces. A key part of this work is the implementation of a continuum solvation model in SIESTA for DFT simulations at solid-liquid interfaces. The DC will also run large-scale massively parallel DFT simulation of electrochemical degradation reactions causing carbon corrosion and/or Pt oxidation in the fuel cell cathode.

The DC will be responsible for driving and organizing collaborative efforts with internal and external partners. The DC will alternate her/his work between industry and academia. In particular leading the work at the interface of the two, and understanding the differences and needs involved.

**Must-Have Requirements**
- Bachelor’s degree in Physics, Theoretical Chemistry or Theoretical Physics, Material Science, Environmental Science, Chem-Bioinformatics or other related Science with good grades
- Proficiency in English. Provide certification if possible. English language skills will be verified in the interview if selected.
- Proven experience in the field of quantum chemical material simulation (DFT or similar). Knowledge of relevant computational software (i.e., BigDFT, SIESTA, etc)
- Good knowledge of Linux operating systems (i.e., writing bash scripts).

**Desireable Requirements**
- Good ability to apply, validate and develop theoretical models for material simulations
- Independence and creativity, as well as willingness to work in interdisciplinary teams
- Pro-active attitude and self-motivation.
- Experience in writing publications, presenting posters, attendance at conferences

**What we offer**
- An international work environment, in which you can develop your talent and realize ideas and innovations within a competent team
- 18 Months (total cost with Spanish coefficient): 2€/per month. Mobility allowance 600€/per month, family allowance if applicable 660€/per month
- 18 Months (total cost with German coefficient): 3342,2€/per month. Mobility allowance 600€/per month, family allowance if applicable 660€/per month

Please note that all compulsory national contributions (social security, pension, insurances, taxes etc.) to be borne by the employer and employee shall be deducted from the abovementioned amounts in line with MCSA Rules. These deductions vary between countries and institutes.
- An individual and well-structured training within the Marie Curie MSCA network

**How to apply**

The position has a duration of 3 years. Starting date is in September 2023. Applications will be considered unt