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Researcher
Danny Vanpoucke
Profile
Projects
Publications
Activities
73
Results
2021
Assigning probabilities to non-Lipschitz mechanical systems
Danny Vanpoucke
A1
Journal Article
in
CHAOS
2021
Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers
Danny Vanpoucke
A1
Journal Article
in
CARBON
2021
2020
Influence of diamond crystal orientation on the interaction with biological matter
Danny Vanpoucke
A1
Journal Article
in
CARBON
2020
Investigation of structural, electronic and magnetic properties of breathing metal-organic framework MIL-47(Mn) : a first principles approach
Danny Vanpoucke
A1
Journal Article
in
RSC ADVANCES
2020
Partitioning the vibrational spectrum : fingerprinting defects in solids
Danny Vanpoucke
A1
Journal Article
in
COMPUTATIONAL MATERIALS SCIENCE
2020
Small data materials design with machine learning : when the average model knows best
Danny Vanpoucke
A1
Journal Article
in
JOURNAL OF APPLIED PHYSICS
2020
UV-curable biobased polyacrylates based on a multifunctional monomer derived from furfural
Danny Vanpoucke
A1
Journal Article
in
MACROMOLECULES
2020
2019
Can europium atoms form luminescent centres in diamond : a combined theoretical-experimental study
Danny Vanpoucke
A1
Journal Article
in
DIAMOND AND RELATED MATERIALS
2019
Predicting partial atomic charges in siliceous zeolites
Danny Vanpoucke
A1
Journal Article
in
MICROPOROUS AND MESOPOROUS MATERIALS
2019
Synthesis, characterization and thermodynamic stability of nanostructured epsilon-iron carbonitride powder prepared by a solid-state mechanochemical route
Danny Vanpoucke
A1
Journal Article
in
JOURNAL OF ALLOYS AND COMPOUNDS
2019
2017
A combined experimental and theoretical investigation of the Al-Melamine reactive milling system : a mechanistic study towards AlN-based ceramics
Danny Vanpoucke
A1
Journal Article
in
JOURNAL OF ALLOYS AND COMPOUNDS
2017
Linker functionalization in MIL-47(V)-R metal-organic frameworks : understanding the electronic structure
Danny Vanpoucke
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2017
Mechanochemical synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride : a combined theoretical and experimental study
Danny Vanpoucke
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2017
Revisiting the neutral C-vacancy in diamond : localization of electrons through DFT plus U
Danny Vanpoucke
A1
Journal Article
in
DIAMOND AND RELATED MATERIALS
2017
2016
First-principles study of antisite defect configurations in ZnGa2O4:Cr persistent phosphors
Arthur De Vos
Kurt Lejaeghere
Danny Vanpoucke
Jonas Joos
Philippe Smet
Karen Hemelsoet
A1
Journal Article
in
INORGANIC CHEMISTRY
2016
Flexible Ti- and Zr-MOFs based on 1,4-trans-cyclohexanedicarboxylate linkers
Danny Vanpoucke
Veronique Van Speybroeck
C3
Conference
2016
Mechanochemical route to the synthesis of nanostructured Aluminium nitride
Danny Vanpoucke
A1
Journal Article
in
SCIENTIFIC REPORTS
2016
Metal-organic frameworks : when the whole is more than the sum of its parts
Danny Vanpoucke
Kevin Hendrickx
C3
Conference
2016
2015
A flexible photoactive titanium metal-organic framework based on a [Ti-3(IV)(mu(3)-O)(O)(2)(COO)(6)] cluster
Danny Vanpoucke
Veronique Van Speybroeck
A1
Journal Article
in
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
2015
Computational materials science: where theory meets experiment
Danny Vanpoucke
C3
Conference
2015
Convergence of atomic charges with the size of the enzymatic environment
Danny Vanpoucke
Veronique Van Speybroeck
A1
Journal Article
in
JOURNAL OF CHEMICAL INFORMATION AND MODELING
2015
Doping of CeO2 as a tunable buffer layer for coated superconductors: a DFT study of mechanical and electronic properties
Danny Vanpoucke
Stefaan Cottenier
Patrick Bultinck
Veronique Van Speybroeck
Isabel Van Driessche
C3
Conference
2015
Engineering light-absorption in MOFs : combined experimental and theoretical study of UiO-66
Kevin Hendrickx
Karen Hemelsoet
Danny Vanpoucke
Pascal Van Der Voort
Veronique Van Speybroeck
C3
Conference
2015
Engineering light-absorption in functionalized UiO-66 frameworks
Kevin Hendrickx
Karen Hemelsoet
Danny Vanpoucke
Pascal Van Der Voort
Veronique Van Speybroeck
C3
Conference
2015
Fine-tuning the theoretically predicted structure of MIL-47(V) with the aid of powder X-ray diffraction
Thomas Bogaerts
Louis Vanduyfhuys
Danny Vanpoucke
Jelle Wieme
Michel Waroquier
Pascal Van Der Voort
Veronique Van Speybroeck
A1
Journal Article
in
CRYSTENGCOMM
2015
Low dimensional physics in metal organic frameworks : a DFT study of breathing MIL-47
Danny Vanpoucke
Jan Jaeken
Stijn De Baerdemacker
Kurt Lejaeghere
Veronique Van Speybroeck
C3
Conference
2015
Mechanical properties from periodic plane wave quantum mechanical codes: the challenge of the flexible nanoporous MIL-47(V) framework
Danny Vanpoucke
Kurt Lejaeghere
Veronique Van Speybroeck
Michel Waroquier
An Ghysels
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2015
Understanding experiments : the power of first principle simulations of metal-organic frameworks
Danny Vanpoucke
Kevin Hendrickx
Karen Hemelsoet
Pascal Van Der Voort
Veronique Van Speybroeck
C3
Conference
2015
Understanding intrinsic light absorption properties of UiO-66 frameworks : a combined theoretical and experimental study
Kevin Hendrickx
Danny Vanpoucke
Karen Leus
Kurt Lejaeghere
Andy Van Yperen-De Deyne
Veronique Van Speybroeck
Pascal Van Der Voort
Karen Hemelsoet
C3
Conference
2015
Understanding intrinsic light absorption properties of UiO-66 frameworks: a combined theoretical and experimental study
Kevin Hendrickx
Danny Vanpoucke
Karen Leus
Kurt Lejaeghere
Andy Van Yperen-De Deyne
Veronique Van Speybroeck
Pascal Van Der Voort
Karen Hemelsoet
A1
Journal Article
in
INORGANIC CHEMISTRY
2015
2014
Aliovalent doping of CeO2 : DFT study of oxidation state and vacancy effects
Danny Vanpoucke
Patrick Bultinck
Stefaan Cottenier
Veronique Van Speybroeck
Isabel Van Driessche
A1
Journal Article
in
JOURNAL OF MATERIALS CHEMISTRY A
2014
Comment on 'Europium doping induced symmetry deviation and its impact on the second harmonic generation of doped ZnO nanowires'
Danny Vanpoucke
Editorial material
2014
Hirshfeld-I charges : from molecules to solids : implementation, pitfalls and applications
Danny Vanpoucke
Stefaan Cottenier
Toon Verstraelen
Veronique Van Speybroeck
Sofie Van Damme
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2014
Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment
Danny Vanpoucke
A1
Journal Article
in
JOURNAL OF PHYSICS-CONDENSED MATTER
2014
New quasi-1D materials: DFT-study of breathing metal-organic frameworks
Danny Vanpoucke
Jan Jaeken
Stijn De Baerdemacker
Kurt Lejaeghere
An Ghysels
Michel Waroquier
Veronique Van Speybroeck
C3
Conference
2014
Quasi-1D physics in breathing metal-organic frameworks
Danny Vanpoucke
Jan Jaeken
Stijn De Baerdemacker
Veronique Van Speybroeck
Kurt Lejaeghere
C3
Conference
2014
Quasi-1D physics in metal-organic frameworks : MIL-47(V) from first principles
Danny Vanpoucke
Jan Jaeken
Stijn De Baerdemacker
Kurt Lejaeghere
Veronique Van Speybroeck
A1
Journal Article
in
BEILSTEIN JOURNAL OF NANOTECHNOLOGY
2014
Rationality: a social-epistemology perspective
Danny Vanpoucke
A1
Journal Article
in
FRONTIERS IN PSYCHOLOGY
2014
Tailoring metal-organic frameworks for adsorption applications
Danny Vanpoucke
Toon Verstraelen
Matthias Vandichel
An Ghysels
Kurt Lejaeghere
Veronique Van Speybroeck
C3
Conference
2014
Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence
Danny Vanpoucke
Stefaan Cottenier
Veronique Van Speybroeck
Isabel Van Driessche
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
2014
2013
A deterministic model for Norton's dome
Danny Vanpoucke
C1
Conference
2013
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
Louis Vanduyfhuys
Toon Verstraelen
Danny Vanpoucke
Michel Waroquier
Veronique Van Speybroeck
C3
Conference
2013
Calculating Hirschfeld-I charges in solids: implementation, pitfalls and applications
Danny Vanpoucke
Stefaan Cottenier
Veronique Van Speybroeck
Sofie Van Damme
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2013
Calculating Hirshfeld-I charges in solids: implementation, pitfalls and applications
Danny Vanpoucke
Sofie Van Damme
Stefaan Cottenier
Patrick Bultinck
Isabel Van Driessche
Veronique Van Speybroeck
C3
Conference
2013
Extending Hirshfeld I: cover image Journal of Computational Chemistry, volume 34, issue 5
Danny Vanpoucke
Other
2013
Extending Hirshfeld-I to bulk and periodic materials
Danny Vanpoucke
Patrick Bultinck
Isabel Van Driessche
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2013
Functionalized metal-organic frameworks: MIL-47(V)+X: a computational investigation of its properties
Danny Vanpoucke
Shyam Prosad Biswas
Toon Verstraelen
Matthias Vandichel
Karen Leus
Ying-Ya Liu
Michel Waroquier
Veronique Van Speybroeck
Pascal Van Der Voort
C3
Conference
2013
Investigation of tunable buffer layers for coated superconductors
Danny Vanpoucke
C3
Conference
2013
New functionalized metal-organic frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3) : synthesis, characterization, and CO2 adsorption properties
Shyam Prosad Biswas
Danny Vanpoucke
Toon Verstraelen
Matthias Vandichel
Karen Leus
Ying-Ya Liu
Michel Waroquier
Veronique Van Speybroeck
Pascal Van Der Voort
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2013
Reply to 'comment on ''extending Hirshfeld-I to bulk and periodic materials'''
Danny Vanpoucke
Isabel Van Driessche
Patrick Bultinck
A1
Journal Article
in
JOURNAL OF COMPUTATIONAL CHEMISTRY
2013
2012
Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1-xOδ epitaxial layers
Narayanan Vyshnavi
Petra Lommens
Klaartje De Buysser
Danny Vanpoucke
Pascal Van Der Voort
Isabel Van Driessche
A1
Journal Article
in
JOURNAL OF MATERIALS CHEMISTRY
2012
Atomic charges in solids : calculating Hirshfeld-I charges for overlapping atoms from the electron density distribution
Danny Vanpoucke
Isabel Van Driessche
Patrick Bultinck
C3
Conference
2012
Chemistry in solids: extending the Hirshfeld-I method
Danny Vanpoucke
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2012
Investigation of tunable buffer layers for coated superconductors : from solid state physics to quantum chemistry
Danny Vanpoucke
Isabel Van Driessche
Patrick Bultinck
Dissertation
2012
Models and simulations in material science : two cases without error bars
Danny Vanpoucke
A1
Journal Article
in
STATISTICA NEERLANDICA
2012
Probability of inconsistencies in theory revision : a multi-agent model for updating logically interconnected beliefs under bounded confidence
Danny Vanpoucke
A1
Journal Article
in
EUROPEAN PHYSICAL JOURNAL B
2012
Tuning of CeO₂ buffer layers for coated superconductors through doping
Danny Vanpoucke
Stefaan Cottenier
Veronique Van Speybroeck
Patrick Bultinck
Isabel Van Driessche
A1
Journal Article
in
APPLIED SURFACE SCIENCE
2012
2011
Chemical solution deposition of thick and dense single buffer layers for YBCO coated conductors
Narayanan Vyshnavi
Danny Vanpoucke
Petra Lommens
Els Bruneel
Klaartje De Buysser
Isabel Van Driessche
C3
Conference
2011
DFT study of La2Ce2O7 : a question of order
Danny Vanpoucke
Narayanan Vyshnavi
Stefaan Cottenier
Veronique Van Speybroeck
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2011
Density functional theory study of La2Ce2O7 : disordered fluorite versus pyrochlore structure
Danny Vanpoucke
Patrick Bultinck
Stefaan Cottenier
Veronique Van Speybroeck
Isabel Van Driessche
A1
Journal Article
in
PHYSICAL REVIEW B
2011
Novel water-based lanthanum zirconate and doped buffer layers for YBCO coated conductors
Narayanan Vyshnavi
Danny Vanpoucke
Petra Lommens
Els Bruneel
Klaartje De Buysser
Serge Hoste
Isabel Van Driessche
C3
Conference
2011
Novel water-based lanthanum zirconate and doped buffer layers for YBCO coated conductors
Narayanan Vyshnavi
Danny Vanpoucke
Petra Lommens
Els Bruneel
Klaartje De Buysser
Serge Hoste
Isabel Van Driessche
C3
Conference
2011
Pt Nanowires on Ge(001) : sheep in wolf's clothing?
Danny Vanpoucke
A4
Journal Article
in
BELGIAN PHYSICAL SOCIETY MAGAZINE
2011
Pt Nanowires on Ge(001) : sheep in wolf's clothing?
Danny Vanpoucke
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2011
Sociophysics : probability of inconsistency in opinion dynamics
Sylvia Wenmackers
Danny Vanpoucke
C3
Conference
2011
Tuning of CeO2 buffer layers for coated superconductors through metal doping
Danny Vanpoucke
Stefaan Cottenier
Veronique Van Speybroeck
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2011
2010
CO adsorption on Pt-induced Ge nanowires
Danny Vanpoucke
A1
Journal Article
in
PHYSICAL REVIEW B
2010
Density functional theory study of Pt-induced Ge(001) reconstructions
Danny Vanpoucke
A1
Journal Article
in
PHYSICAL REVIEW B
2010
Pt-induced nanowires on Ge(001) : a density functional theory study
Danny Vanpoucke
A1
Journal Article
in
PHYSICAL REVIEW B
2010
Tuning Of CeO2 buffer layers through doping
Danny Vanpoucke
Stefaan Cottenier
Patrick Bultinck
Isabel Van Driessche
C3
Conference
2010
2009
Ab initio study of Pt induced nanowires on Ge(001)
Danny Vanpoucke
Dissertation
2009
The formation of self-assembled nanowire arrays on Ge(001) : a DFT study of Pt induced nanowire arrays
Danny Vanpoucke
C1
Conference
2009
2008
Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001) : a density functional theory study
Danny Vanpoucke
A1
Journal Article
in
PHYSICAL REVIEW B
2008