Danny Vanpoucke

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Patrick BultinckGhent University - UGentVerified email at UGent.be
Kurt Lejaeghereresearch engineer, OCAS NVVerified email at arcelormittal.com
Geert BrocksProfessor of physics, University of Twente, Enschede, and Eindhoven University of Technology.Verified email at utwente.nl
Stefaan CottenierGhent UniversityVerified email at ugent.be
Pascal Van Der Voortfull professor chemistryVerified email at ugent.be
Ken HAENENHasselt University & imecVerified email at uhasselt.be
Sylvia WenmackersProfessor of Philosophy of Science, KU LeuvenVerified email at kuleuven.be
Karen LeusPost-Doctoral Assistent at Ghent UniversityVerified email at ugent.be
Sergio ScudinoIFW DresdenVerified email at ifw-dresden.de
Bart BuekenCentre for Surface Chemistry and Catalysis, KU LeuvenVerified email at kuleuven.be
Shannon S. Nicley (other names used:...Assistant Professor, Department of Electrical and Computer Engineering, Michigan State UniversityVerified email at msu.edu
Igor DouvenIHPST (Pantheon-Sorbonne University)Verified email at univ-paris1.fr
Amin RounaghiCEO of Nano Parmin Khavaran Co.Verified email at nanoparmin.com
An GhyselsGhent UniversityVerified email at ugent.be
Hossein EshghiDepartment of Chemistry, School of Sciences, Ferdowsi University of Mashhad, Mashhad 91775–1436Verified email at um.ac.ir
Matthias VandichelUniversity of LimerickVerified email at ul.ie
Ameloot RobUniversity of Leuven, Centre for Membrane Separations, Adsorption, Catalysis, and SpectroscopyVerified email at kuleuven.be
Frederik VermoorteleKU LeuvenVerified email at biw.kuleuven.be
Helge ReinschCAU KielVerified email at ac.uni-kiel.de
Joeri DenayerDepartment of Chemical Engineering, Vrije Universiteit BrusselVerified email at vub.be

Danny Vanpoucke

Institute for Materials Research, Hasselt University

Verified email at UHasselt.be - Homepage

computational materials science materials chemistry machine learning conceptual DFT modeling and simulation


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Understanding intrinsic light absorption properties of UiO-66 frameworks: a combined theoretical and experimental study K Hendrickx, DEP Vanpoucke, K Leus, K Lejaeghere, ... Inorganic chemistry 54 (22), 10701-10710, 2015	182	2015
Formation of Pt-induced Ge atomic nanowires on Pt/Ge (001): A density functional theory study DEP Vanpoucke, G Brocks Physical Review B—Condensed Matter and Materials Physics 77 (24), 241308, 2008	177	2008
First-Principles Study of Antisite Defect Configurations in ZnGa₂O₄:Cr Persistent Phosphors A De Vos, K Lejaeghere, DEP Vanpoucke, JJ Joos, PF Smet, ... Inorganic chemistry 55 (5), 2402-2412, 2016	120	2016
A Flexible Photoactive Titanium Metal–Organic Framework Based on a [Ti^IV₃(μ₃‐O)(O)₂(COO)₆] Cluster B Bueken, F Vermoortele, DEP Vanpoucke, H Reinsch, CC Tsou, ... Angewandte Chemie International Edition 54 (47), 13912-13917, 2015	120	2015
Aliovalent doping of CeO 2: DFT study of oxidation state and vacancy effects DEP Vanpoucke, P Bultinck, S Cottenier, V Van Speybroeck, ... Journal of Materials Chemistry A 2 (33), 13723-13737, 2014	115	2014
New Functionalized Metal–Organic Frameworks MIL-47-X (X = −Cl, −Br, −CH₃, −CF₃, −OH, −OCH₃): Synthesis, Characterization, and CO₂ Adsorption Properties S Biswas, DEP Vanpoucke, T Verstraelen, M Vandichel, S Couck, K Leus, ... The Journal of Physical Chemistry C 117 (44), 22784-22796, 2013	100	2013
Extending Hirshfeld‐I to bulk and periodic materials DEP Vanpoucke, P Bultinck, I Van Driessche Journal of Computational Chemistry 34 (5), 405-417, 2013	100	2013
Density functional theory study of LaCeO: Disordered fluorite versus pyrochlore structure DEP Vanpoucke, P Bultinck, S Cottenier, V Van Speybroeck, ... Physical Review B—Condensed Matter and Materials Physics 84 (5), 054110, 2011	54	2011
Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47 (V) framework DEP Vanpoucke, K Lejaeghere, V Van Speybroeck, M Waroquier, ... The Journal of Physical Chemistry C 119 (41), 23752-23766, 2015	51	2015
Tetravalent Doping of CeO₂: The Impact of Valence Electron Character on Group IV Dopant Influence DEP Vanpoucke, S Cottenier, V Van Speybroeck, I Van Driessche, ... Journal of the American Ceramic Society 97 (1), 258-266, 2014	48	2014
Pt-induced nanowires on Ge (001): A density functional theory study DEP Vanpoucke, G Brocks Physical Review B—Condensed Matter and Materials Physics 81 (8), 085410, 2010	46	2010
Rationality: A social-epistemology perspective S Wenmackers, DEP Vanpoucke, I Douven Frontiers in psychology 5, 581, 2014	42	2014
Probability of inconsistencies in theory revision: a multi-agent model for updating logically interconnected beliefs under bounded confidence S Wenmackers, DEP Vanpoucke, I Douven The European Physical Journal B 85, 1-15, 2012	42	2012
Mechanochemical route to the synthesis of nanostructured Aluminium nitride SA Rounaghi, H Eshghi, S Scudino, A Vyalikh, DEP Vanpoucke, ... Scientific reports 6 (1), 33375, 2016	36	2016
Reply to ‘comment on “extending Hirshfeld‐I to bulk and periodic materials”’ DEP Vanpoucke, I Van Driessche, P Bultinck Journal of Computational Chemistry 34 (5), 422-427, 2013	36	2013
Aqueous CSD approach for the growth of novel, lattice-tuned La x Ce 1− x O δ epitaxial layers V Narayanan, P Lommens, K De Buysser, DEP Vanpoucke, R Huehne, ... Journal of Materials Chemistry 22 (17), 8476-8483, 2012	35	2012
Can europium atoms form luminescent centres in diamond: A combined theoretical–experimental study DEP Vanpoucke, SS Nicley, J Raymakers, W Maes, K Haenen Diamond and Related Materials 94, 233-241, 2019	34	2019
Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment DEP Vanpoucke Journal of Physics: Condensed Matter 26 (13), 133001, 2014	32	2014
Tuning of CeO2 buffer layers for coated superconductors through doping DEP Vanpoucke, S Cottenier, V Van Speybroeck, P Bultinck, ... Applied surface science 260, 32-35, 2012	31	2012
Quasi-1D physics in metal-organic frameworks: MIL-47 (V) from first principles DEP Vanpoucke, JW Jaeken, S De Baerdemacker, K Lejaeghere, ... Beilstein journal of nanotechnology 5 (1), 1738-1748, 2014	28	2014

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