Postdoctoral Fellow in Physics with Multicomponent Real-Time TDDFT for Application to Water at Stockholm University, Sweden

Stockholm University is looking for a postdoctoral Fellow to work on development and implementation of efficient approaches to simultaneous real-time wave function propagation of both protons and electrons in ab initio simulations of liquid water within a TD-ADFT framework. The target is to perform fully quantum, non-Born-Oppenheimer large-scale simulations of water including also the nuclear spin-coupling between the protons in the molecules. The project is funded through an ERC Advanced Grant (GAS-WAT) and focuses on determining the character and effects of structural fluctuations in liquid water. From both experiment and theory a two-state picture of water is emerging with fluctuations between high- (HDL) and low-density (LDL) local structures at ambient conditions. To what extent the nuclear spin-coupling contributes to this is unknown.

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Deadline for application: 20 December 2022