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In this Journal Club-style talk, I shall discuss a series of papers [1-4] on error estimate functionals for density functional theory.

[1] Bayesian Error Estimation in Density-Functional Theory, J. J. Mortensen et al., Phys. Rev. Lett. 95, 216401 (2005)
[2] Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation Jess Wellendorff et al. Phys. Rev. B 85 , 235149 (2012)
[3] mBEEF: An accurate semi-local Bayesian error estimation density functional, Jess Wellendorff et al., J. Chem. Phys. 140, 144107 (2014)
[4] mBEEF-vdW: Robust fitting of error estimation density functionals, Keld T. Lundgaard et al. Phys. Rev. B 93 , 235162 (2016)

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In this Journal Club-style talk, I shall discuss a series of papers [1-4] on error estimate functionals for density functional theory.

[1] Bayesian Error Estimation in Density-Functional Theory, J. J. Mortensen et al., Phys. Rev. Lett. 95, 216401 (2005)
[2] Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation Jess Wellendorff et al. Phys. Rev. B 85 , 235149 (2012)
[3] mBEEF: An accurate semi-local Bayesian error estimation density functional, Jess Wellendorff et al., J. Chem. Phys. 140, 144107 (2014)
[4] mBEEF-vdW: Robust fitting of error estimation density functionals, Keld T. Lundgaard et al. Phys. Rev. B 93 , 235162 (2016)