PhD Candidate in Quantum Algorithms for Computational X-ray Spectroscopy

Kongens Lyngby, Capital Region
Posted 23 hours ago
Research and Development

About the role

Job summary

This position offers a three-year PhD opportunity focused on developing quantum algorithms for computational X-ray spectroscopy, specifically tailored for noisy-intermediate scale and early-fault-tolerant quantum computers. The role is situated within a collaborative research environment aimed at enhancing materials discovery workflows and supporting experimental interpretations in various scientific fields.

Qualifications

  • A two-year master's degree (120 ECTS points) or equivalent in Chemistry, Physics, Mathematics, Computer Science, or Quantum Information Science, preferably with a focus on theoretical and computational chemistry.
  • Strong mathematical background and experience in quantum chemistry, computational spectroscopy, and programming in Fortran, C/C++, or Python are advantageous.
  • Familiarity with correlated wavefunction methods in quantum chemistry, such as Coupled Cluster or multireference methods, is beneficial.
  • Experience in developing quantum computing algorithms for NISQ or early Fault Tolerant quantum computers is a plus.
  • Knowledge of quantum computing software libraries like IBM’s Qiskit or Pennylane is desirable.
  • Proficiency in written and spoken English.

Responsibilities

  • Develop and apply quantum algorithms for computational X-ray spectroscopy on simulators and quantum computers.
  • Publish research findings in scientific journals and present at conferences.
  • Participate in group meetings and departmental activities.
  • Engage in teaching-related activities, including supervision of BSc and MSc student projects.

Skills

  • Strong analytical and problem-solving skills.
  • Ability to work independently and collaboratively in a diverse team environment.
  • High motivation and ambition towards scientific excellence.

Education

  • A master's degree in a relevant field is required.

Tools

  • Programming languages: Fortran, C/C++, Python.
  • Quantum computing libraries: IBM’s Qiskit, Pennylane.
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