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Location:Laboratory for Materials Simulations(LMS), Paul Scherrer Institut (PSI), Switzerland
Duration:4 years
Funding:Swiss National Science Foundation(SNSF)
To apply: https://www.psi.ch/en/hr/job-opportunities/69617-two-phd-students-on-development-and-application-of-advanced
Deadline for applications: 15 June 2025
Description: We are seeking two passionate PhD candidates to join our research team in a cutting-edge project focused on the theoretical investigation of altermagnetism - a recently discovered and rapidly growing field in condensed matter physics. Altermagnets are a novel class of magnetic materials that exhibit spin-compensated magnetism with non-relativistic spin-split bands, offering unprecedented potential for energy-efficient spin-based technologies such as spintronics, magnonics, and superconductivity. Chiral magnons in altermagnets, in particular, promise to revolutionize information processing by enabling dissipationless transport without relying on charge carriers. Join us in pushing the frontiers of this emerging field by developing novel computational tools and making impactful contributions to the next generation of low-power, high-efficiency technologies.
Goal: This project aims to develop a novel, accurate, and fully first-principles computational framework to describe the ground- and excited-state properties of altermagnets [1,2], with a focus on chiral magnons [3]. The PhD candidates will work on extending our orbital-resolved DFT+U approach [4] with first-principles Hubbard parameters [5] using Wannier functions as projectors [6], and will contribute to the development of time-dependent DFT+U [7] for modeling magnetic excitations beyond the Heisenberg model. These methods will be applied to both known and predicted altermagnets to explore their properties and identify promising candidates for future technologies. The predictions will be rigorously validated in close collaboration with experimental partners at the Paul Scherrer Institut, using state-of-the-art neutron scattering techniques [8]. The PhD candidates will work with Quantum ESPRESSO [9], advanced linear-response methods, and high-performance computing resources at CSCS [10], contributing to an open-access database and releasing all developed tools to the community via Materials Cloud [11].
[4] E. Macke et al., J. Chem. Theory Comput. 20, 4824 (2024).
[8]https://www.psi.ch/en/lns
[10]https://www.cscs.ch/
[11]https://www.materialscloud.org/home
Two PhD positions (both based at PSI):
-1st position:Between PSI and EPFL, co-supervised by Dr.Iurii Timrov(PSI) and Prof.Nicola Marzari(EPFL/PSI).
-2nd position:Between PSI and ETH Zurich, co-supervised by Dr.Iurii Timrov(PSI) and Prof.ClaudeEderer(ETH Zurich).
-PhD Thesis in the field of chiral magnonics for altermagnets using advanced computational methods
-Develop novel, accurate, and fully first-principles computational methods to model the ground-state and excited-state properties of altermagnets, with a focus on spin waves (magnons)
-Apply these advanced computational techniques, including density-functional theory with on-site U and inter-site V Hubbard corrections (DFT+U+V), and its time-dependent extension TDDFT+U+V, for simulations of magnons in altermagnetic materials
-Collaborate with experimental partners at the Paul Scherrer Institute 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 of Science 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 Fortran and Python programming languages is required
-Familiarity with other programming languages 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
About the Paul Scherrer Institut:PSI is Switzerland's largest research institute, conducting cutting-edge research in various fields including future technologies, energy, climate, and health innovation. With a staff of 2200 people, it operates complex large research facilities attracting over 2500 scientists globally each year. Notably, it is committed to training future generations, offering opportunities for apprentices, post-graduates, and post-docs. At PSI, researchers explore the internal structure of materials, develop sustainable energy technologies, investigate causes of illnesses, and operate large scientific facilities such as the Swiss Light Source and the free-electron X-ray laser SwissFEL. These facilities offer unique insights into various scientific processes, attracting researchers from universities, research centers, and industry worldwide. Moreover, PSI recently established theScientific Computing, Theory, and Data division, focusing on providing modeling expertise and computing resources, linking computational materials modeling and data science to PSI's research facilities. In this division, you will become part of the Laboratory for Materials Simulations - you can findhereall the information, including the mission statement and the people roster. Join us at PSI and be part of our vibrant scientific community dedicated to pushing the boundaries of knowledge and innovation.
We offer: Our institution is based on an interdisciplinary, innovative and dynamic collaboration. You will profit from a systematic training on the job, in addition to personal development possibilities and our pronounced vocational training culture. If you wish to optimally combine work and family life or other personal interests, we are able to support you with our modern employment conditions and the on-site infrastructure.
Contact: For further information, please contact Dr. Iurii Timrov atiurii.timrov@psi.ch
Keywords: Altermagnetism, magnons, spin waves, density functional theory, DFT+U, Hubbard U, time-dependent density functional theory, Wannier functions, software development, high-performance computing, Quantum ESPRESSO
Evaluation of candidates will start immediately and continue until the positions are filled.
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