Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory-Reference-Cited by-同舟云学术

Development of an exchange–correlation functional with uncertainty quantification capabilities for density functional theory

Published:2016-04 Issue: Volume:311 Page:173-195
ISSN:0021-9991
Container-title:Journal of Computational Physics
language:en
Short-container-title:Journal of Computational Physics

Author:

Aldegunde Manuel,Kermode James R.,Zabaras Nicholas

Funder

EPSRC

ORNL

DARPA EQUiPS

Royal Society

Technische Universität München, Institute for Advanced Study

German Excellence Initiative

European Union Seventh Framework Program

Publisher

Elsevier BV

Subject

Computer Science Applications,Physics and Astronomy (miscellaneous),Applied Mathematics,Computational Mathematics,Modelling and Simulation,Numerical Analysis

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4. Density functionals for surface science: exchange–correlation model development with Bayesian error estimation;Wellendorff;Phys. Rev. B,2012

5. Assessing the reliability of calculated catalytic ammonia synthesis rates;Medford;Science,2014

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