The thermal conductivity of partially dissociated and ionised water is calculated in a large-scale study using density functional theory (DFT)-based molecular dynamics (MD) simulations. In doing so, the required heat current of the nuclei is calculated by mapping the effective particle interactions from the DFT-MD simulations onto classical pair potentials. It is demonstrated that experimental and theoretical thermal conductivity data for liquid heavy water and for ice VII are well reproduced with this efficient procedure. Moreover, the approach also allows for an illustrative interpretation of the characteristics of the thermal conductivity in the dense chemically reacting fluid. The thermodynamic conditions investigated here range from densities between 0.2 and 6 g cm −3 and temperatures between 600 and 50000 K, which includes states highly relevant for understanding the interiors of water-rich planets like Uranus and Neptune and exoplanets of similar composition. During the last two decades, ab initio calculations based on finite-temperature density functional theory (FT-DFT) in combination with molecular dynamics (MD) simulations have become a reliable tool for accurate predictions of thermodynamic properties of matter under extreme conditions [12,13]. The prefix FT emphasises that the electron system is consistently treated at a nonzero (finite) temperature [14], which is typically equal to the temperature of the nuclei.The calculation of the thermal conductivity with FT-DFT-MD techniques requires a distincted treatment of the contributions from electronic heat conduction and from heat transport via the nuclei. The former is gained by evaluating the electronic Onsager coefficients using the Kohn-Sham eigenvalues and orbitals from the FT-DFT [15], which was recently accomplished also for partially ionised water [16].