Jan Jaeken

Christoffel is a Python module for calculating wave velocities from elastic properties. This software is designed to determine direction-dependent acoustic phase and group velocities of a homogeneous material based on its stiffness tensor. It is a light-weight, highly customizable package with an emphasis on flexibility and ease of use: http://janjaeken.github.io/christoffel/

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A1 Publications

Published

2018

A new ab initio equation of state of hcp-Fe and its implication on the interior structure and mass-radius relations of rocky super-Earths , K. Hakim, A. Rivoldini, T. Van Hoolst, S. Cottenier, J. Jaeken, T. Chust, G. Steinle-Neuman, G. Steinle-Neumann , Icarus , Volume 313, pages 61-78 , 2018 , IF: 3.456 , 26/68 [Q2]

2016

Solving the Christoffel equation: phase and group velocities , J. Jaeken, S. Cottenier , Computer Physics Communications , 207, 445–451 , 2016 , IF: 3.635 , 1/53 [Q1]

2014

Quasi-1D physics in Metal-Organic Frameworks: MIL-47(V) from first principles , D.E.P. Vanpoucke, J. Jaeken, S. De Baerdemacker, K. Lejaeghere, V. Van Speybroeck , Beilstein Journal of Nanotechnology , 5, 1738–1748 , 2014 , IF: 2.670 , 52/259 [Q1]
Ab initio based thermal property predictions at a low cost: An error analysis , K. Lejaeghere, J. Jaeken, V. Van Speybroeck, S. Cottenier , Physical Review B , 89, 014304 , 2014 , IF: 3.736 , 14/67, Q1

Other Publications

Dissertations

(D2) , Ab initio prediction of material properties for the inner core of the planet Mercury , J. Jaeken , Supervisor(s): Prof. Dr. Michel Waroquier, Prof. Dr. Stefaan Cottenier , 2012

Keynote / Plenary / Invited talks

2014

Invited talk
DFT vs. reality: the error budget , S. Cottenier, K. Lejaeghere, J. Jaeken, V. Van Speybroeck , International workshop on computational physics and materials science ("Total energy and force methods") , Lausanne, Switzerland , Thu, 09/01/2014 to Sat, 11/01/2014

Talks

2014

Checking the engines: quantitative error bar assessment for DFT-based property predictions , K. Lejaeghere, J. Jaeken, V. Van Speybroeck, S. Cottenier , E-MRS 2014 Spring Meeting , Lille, France , Mon, 26/05/2014 to Fri, 30/05/2014

Posters

2015

Predicting sound in planetary inner cores using quantum physics , J. Jaeken, A. Rivoldini, T. Van Hoolst, V. Van Speybroeck, M. Waroquier, S. Cottenier , VSC user day , Antwerp, Belgium , Mon, 30/11/2015
Low dimensional physics in Metal-Organic Frameworks: a DFT study of breathing MIL-47 , D.E.P. Vanpoucke, J. Jaeken, S. De Baerdemacker, K. Lejaeghere, V. Van Speybroeck , Belgian Physical Society Meeting 2015 , Liège, Belgium , Wed, 13/05/2015

2014

Ab initio prediction of acoustic anisotropy of Fe, Ni and FeNi in the Earth’s inner core , J. Jaeken, M. Decock, A. Rivoldini, T. Van Hoolst, V. Van Speybroeck, M. Waroquier, S. Cottenier , Ab Initio Description of Iron and Steel 2014 , Ringberg, Germany , Sun, 26/10/2014 to Fri, 31/10/2014
Quasi-1D physics in breathing metal-organic frameworks , D.E.P. Vanpoucke, J. Jaeken, S. De Baerdemacker, V. Van Speybroeck, K. Lejaeghere , DZA 2014 meeting , Ghent, Belgium , Tue, 07/10/2014
New quasi-1D materials: DFT-study of breathing metal-organic frameworks , D.E.P. Vanpoucke, J. Jaeken, S. De Baerdemacker, K. Lejaeghere, A. Ghysels, M. Waroquier, V. Van Speybroeck , IAP P7/05 Annual meeting 2014 , Louvain-La-Neuve, Belgium , Fri, 19/09/2014
High-pressure equations of state for iron and the interior structure of super-Earths , T. Van Hoolst, A. Rivoldini, K. Hakim, J. Jaeken, S. Cottenier , European Planetary Science Congress , Cascais, Portugal , Sun, 07/09/2014 to Fri, 12/09/2014

2013

Materials for Energy: The Role of Computational Materials Design , K. Lejaeghere, K. Rijpstra, M. Sluydts, J. Jaeken, M. Waroquier, V. Van Speybroeck, S. Cottenier , (presenting author K. Lejaeghere), Colloquium Physics and the Energy Challenge , Brussels, Belgium , Sat, 20/04/2013

2012

Ab-initio prediction of thermoelastic properties of (exo-)planetary inner cores: working plan , J. Jaeken, A. Rivoldini, T. Van Hoolst, V. Van Speybroeck, M. Waroquier, S. Cottenier , New insights on metals under extreme conditions , Paris, France , Thu, 13/12/2012 to Sat, 15/12/2012
Crystal structure prediction for iron as inner core material in the Earth and exoplanets , S. Cottenier, M.I.J. Probert, J. Jaeken, T. Van Hoolst, A. Rivoldini, M. Waroquier , 19th wien2k Workshop , Waseda University, Tokyo, Japan , Mon, 03/09/2012 to Fri, 07/09/2012

Funding