PhD scholarship in Hybrid Quantum Algorithms for Computational X-ray Spectroscopy on Noisy-Intermediate Scale and Early-Fault-Tolerant Quantum Computers - DTU Chemistry

Official occupation: ph.d., naturvidenskab og teknik. Employment conditions: Almindelige vilkår. Employer CVR: 30060946.

Primary career market

Public Sector, Education & Impact (employer-sector evidence).

Funded by the Danish e-Infrastructure Cooperation - DeiC National Quantum Algorithm Academy, we have an opening for a three-year PhD position in the group of Professor Sonia Coriani at DTU Chemistry to work on the development of quantum algorithms tailored to noisy-intermediate scale (NISQ) and early-fault-tolerant (EFTQC) devices for the computation of core-level spectra.

Responsibilities and qualifications The project will combine insights from quantum linear response theory, Krylov subspace methods, quantum phase estimation variants, and time domain correlation function techniques.

The ultimate goal is to build computational frameworks capable of predicting X-ray spectra with an accuracy sufficient to support experiments in materials and life science, catalysis, and molecular chemical physics in general, while operating within the constraints of near term and emerging quantum hardware.

In the long term, this can accelerate materials discovery workflows (design of batteries, catalysts, photovoltaics) and the interpretation of X-ray experiments probing the photophysics and photochemistry of functional molecules in life science1 …