The Paul Scherrer Institute PSI is the largest research institute for natural and engineering sciences within Switzerland. We perform cutting-edge research in the fields of future technologies, energy and climate, health innovation and fundamentals of nature. By performing fundamental and applied research, we work on sustainable solutions for major challenges facing society, science and economy. PSI is committed to the training of future generations. Therefore, about one quarter of our staff are post-docs, post-graduates or apprentices. Altogether, PSI employs 2200 people.

Your tasks

• PhD Thesis in Discovery, design, and characterization of novel Na-ion battery cathode materials via high-throughput screening
• Conduct high-throughput search or computational design of inorganic Nacontaining materials to identify potential cathode candidates for Na-ion batteries
• Perform detailed characterization of the most promising cathode materials to determine their electrochemical properties and suitability for battery applications
• Employ advanced computational techniques, including density-functional theory (DFT) with DFT+U+V, to model complex transition-metal compounds and predict their behavior in Na-ion batteries
• Collaborate with experimental partners at the PSI to validate computational predictions using world-class large-scale facilities
• Use the electronic-structure package Quantum ESPRESSO and the AiiDA infrastructure for simulations and data analysis
• Support teaching activities at EPFL or ETH Zurich

Your profile

• Master degree in physics, materials science, or chemistry, with a focus on numerical simulations
• Prior experience with computational project work is essential
• Prior experience with density functional theory is desirable
• Proficiency in the Python programming language is required
• Familiarity with other programming languages, particularly Fortran, is a plus
• Strong written and oral communication skills in English are necessary
• The ability to work independently and collaborate effectively with both theoretical and experimental partners is essential

We offer

www.psi.ch