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Fundamental and Computational Sciences Directorate

Staff information

Anne Chaka

Geochemistry Team B
Computational Scientist
Pacific Northwest National Laboratory
PO Box 999
MSIN: K8-96
Richland, WA 99352

PNNL Publications


  • Lu Z., A.M. Chaka, and P.V. Sushko. 2020. "Thermal conductance enhanced via inelastic phonon transport by atomic vacancies at Cu/Si interfaces." Physical Review B 102, no. 7:075449. PNNL-SA-147455. doi:10.1103/PhysRevB.102.075449


  • Chaka A.M. 2019. "Quantifying the Impact of Magnesium on the Stability and Water Binding Energy of Hydrated Calcium Carbonates by ab initio Thermodynamics." Journal of Physical Chemistry A 123, no. 13:2908-2923. PNNL-SA-139647. doi:10.1021/acs.jpca.9b00180


  • Ilton E.S., Y. Du, J. Stubbs, P. Eng, A.M. Chaka, J.R. Bargar, and J.R. Bargar, et al. 2017. "Quantifying Small Changes in Uranium Oxidation States Using XPS of a Shallow Core Level." Physical Chemistry Chemical Physics. PCCP 19, no. 45:30473-30480. PNNL-SA-128608. doi:10.1039/c7cp05805e


  • Chaka A.M., A.R. Felmy, and O. Qafoku. 2016. "Ab initio thermodynamics of magnesium carbonates and hydrates in water-saturated supercritical CO2 and CO2-rich regions." Chemical Geology 434. PNNL-SA-117665. doi:10.1016/j.chemgeo.2016.04.005


  • Ilton E.S., T.C. Droubay, A.M. Chaka, L. Kovarik, T. Varga, B.W. Arey, and S.N. Kerisit. 2015. "Epitaxial single-crystal thin films of MnxTi1-xO2-d grown on (rutile)TiO2 substrates with pulsed laser deposition: Experiment and theory." Surface Science 632. PNNL-SA-102453. doi:10.1016/j.susc.2014.10.013
  • Stubbs J., A.M. Chaka, E.S. Ilton, C.A. Biwer, M.H. Engelhard, J.R. Bargar, and J.R. Bargar, et al. 2015. "UO2 oxidative corrosion by non-classical diffusion." Physical Review Letters 114, no. 24:246103. PNNL-SA-108810. doi:10.1103/PhysRevLett.114.246103


  • Chaka A.M., and A.R. Felmy. 2014. "Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates." Journal of Physical Chemistry A 118, no. 35:7469-7488. PNNL-SA-101712. doi:10.1021/jp500271n
  • Kerisit S.N., A.M. Chaka, T.C. Droubay, and E.S. Ilton. 2014. "Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed Mn/Ti Oxides." Journal of Physical Chemistry C 118, no. 42:24231-24239. PNNL-SA-102922. doi:10.1021/jp506025k

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