Publication list

Full publication list: 2008 (1), 2009 (1), 2010 (3), 2011 (2), 2012 (4),2013 (3), 2014 (6), 2015 (5), 2016 (4), 2017 (4),2018 (1),2019 (3),2020 (5), 2021 (2), 2022 (4),2023 (2), 2024 (2), 2025 (7), In Preparation (2), and Editorial work
PhD-thesis’es: 2009, 2012
Covers: 2013,2015,2022,2024

In Preparation/Press/Accepted

  1. The role of atomic reference models in the Hirshfeld-I atoms-in-molecules partitioning scheme
    Danny E. P. Vanpoucke, Sofie Van Damme, Veronique Van Speybroeck and Patrick Bultinck,
    XX, YY (2015), (on hold)
    doi: {IF(2014)=III}
  2. Glass Transition Temperature Prediction in Lignin Polyurethanes Using Machine Learning on Small Experimental Dataset
    Silviu Florin Acaru, Marc Comí, Panagiotis Falireas, Danny E. P. Vanpoucke, Richard Vendamme, and Katrien V. Bernaerts,
    Materials & Design XX, YY (2025), (submitted)
    doi: {IF(2025)=8.4}
  3. Predictive Inorganic Synthesis based on Machine Learning using Small Data sets: a case study of size-controlled Cu Nanoparticles
    Brent Motmans, Digvijay Ghogare, Thijs G.I. van Wijk, Joren Van Herck, Berend Smit, An Hardy, and Danny E.P. Vanpoucke
    XX, YY (2025), (to be submitted)
    doi: {IF(2024)=ZZ}

2025

  1. Characterization of Droplet Formation in Ultrasonic Spray Coating: Influence of ink formulation Using Phase Doppler Anemometry and Machine Learning
    Pieter Verding, Danny E.P. Vanpoucke, Yunus Tansu Aksoy, Tobias Corthouts, Maria Rosaria Vetrano, and Wim Deferme
    Advanced Materials Technologies XX, YY (2025), (accepted)
    doi: 10.1002/admt.202502104 {IF(2025)=6.2}
  2. Fabrication and Photoluminescence Studies of Tin Vacancy Centers in CVD Diamond
    Rani Mary Joy, Miquel F. Cherta, Omar J. Y. Harb, Hendrik Jeuris, Rozita Rouzbahani, Jan D’Haen, Stéphane Clemmen, Dries Van Thourhout, Danny E. P. Vanpoucke, Paulius Pobedinskas, and Ken Haenen,
    ACS Materials Letters 8(1), 137-144 (2025),
    doi: 10.1021/acsmaterialslett.5c01218 {IF(2025)=8.7}
  3. Quantifying water hydrogen bonding from the surface electrostatic potential at varying iso-density contours.
    Goedele Roos, Danny E.P. Vanpoucke, Ralf Blossey, Marc F. Lesinck, and Jane S. Murray,
    J. Chem. Phys. 163(11), 114112 (2025),
    doi: 10.1063/5.0268712 {IF(2024)=3.1}
  4. No boundaries and naturally-defined boundaries obtained via the electrostatic potential
    Goedele Roos, Danny E.P. Vanpoucke, and Jane S. Murray,
    ChemPhysCHem 26(7), e202401065 (2025),
    doi: 10.1002/cphc.202401065 {IF(2023)=2.3}
  5. Bookchapter:”Ab initio simulations of color centers in diamond”
    Emerick Yves Guillaume, Esin Aylin Melan, and Danny E.P. Vanpoucke
    Nanophotonics with Diamond and Silicon Carbide for Quantum Technologies., Chapter 5, p 77-99 (2025),
    ISBN : 978-0-443-13717-4
    Elsevier
  6. The impact of strain on the GeV-color center in diamond
    Thijs G.I. van Wijk, E. Aylin Melan, Rani Mary Joy, Emerick Y. Guillaume, Paulius Pobedinskas, Ken Haenen, and Danny E.P. Vanpoucke,
    Carbon 234, 119928 (2025),
    doi: 10.1016/j.carbon.2024.119928 {IF(2024)=10.5}
  7. The devil in the details: lessons from Li6PS5X for robust high-throughput workflows
    Asif Iqbal Bhatti, Sandeep Kumar, Catharina Jaeken, Michael Sluydts, Danny E.P. Vanpoucke, and Stefaan Cottenier,
    J. Mat. Chem. A 13, 526-539 (2025),
    doi: 10.1039/D4TA06603K {IF(2024)=10.7}

2024

  1. First-principles investigation of hydrogen-related reactions on (100)–(2×1)∶H diamond surfaces
    Emerick Y. Guillaume, Danny E. P. Vanpoucke, Rozita Rouzbahani, Luna Pratali Maffei, Matteo Pelucchi, Yoann Olivier, Luc Henrard, and Ken Haenen,
    Carbon 222, 118949 (2024),
    doi: 10.1016/j.carbon.2024.118949 {IF(2022)=10.9}
  2. Cover Nature Reviews Physics
    Emanuele Bosoni, Louis Beal, Marnik Bercx, Peter Blaha, Stefan Blügel, Jens Bröder, Martin Callsen, Stefaan Cottenier, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, Espen Flage-Larsen, Marco Fornari, Alberto Garcia, Luigi Genovese, Matteo Giantomassi, Sebastiaan P. Huber, Henning Janssen, Georg Kastlunger, Matthias Krack, Georg Kresse, Thomas D. Kühne, Kurt Lejaeghere, Georg K. H. Madsen, Martijn Marsman, Nicola Marzari, Gregor Michalicek, Hossein Mirhosseini, Tiziano M. A. Müller, Guido Petretto, Chris J. Pickard, Samuel Poncé, Gian-Marco Rignanese, Oleg Rubel, Thomas Ruh, Michael Sluydts, Danny E.P. Vanpoucke, Sudarshan Vijay, Michael Wolloch, Daniel Wortmann, Aliaksandr V. Yakutovich, Jusong Yu, Austin Zadoks, Bonan Zhu, and Giovanni Pizzi,
    Nat. Rev. Phys. 6(1), (2024),
    doi: na (web) {IF(2021)=36.273}
  3. How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
    Emanuele Bosoni, Louis Beal, Marnik Bercx, Peter Blaha, Stefan Blügel, Jens Bröder, Martin Callsen, Stefaan Cottenier, Augustin Degomme, Vladimir Dikan, Kristjan Eimre, Espen Flage-Larsen, Marco Fornari, Alberto Garcia, Luigi Genovese, Matteo Giantomassi, Sebastiaan P. Huber, Henning Janssen, Georg Kastlunger, Matthias Krack, Georg Kresse, Thomas D. Kühne, Kurt Lejaeghere, Georg K. H. Madsen, Martijn Marsman, Nicola Marzari, Gregor Michalicek, Hossein Mirhosseini, Tiziano M. A. Müller, Guido Petretto, Chris J. Pickard, Samuel Poncé, Gian-Marco Rignanese, Oleg Rubel, Thomas Ruh, Michael Sluydts, Danny E.P. Vanpoucke, Sudarshan Vijay, Michael Wolloch, Daniel Wortmann, Aliaksandr V. Yakutovich, Jusong Yu, Austin Zadoks, Bonan Zhu, and Giovanni Pizzi,
    Nat. Rev. Phys. 6(1), 45-58 (2024),
    doi: 10.1038/s42254-023-00655-3 {IF(2021)=36.273}

2023

  1. Hydration sphere structure of architectural molecules: polyethylene glycol and polyoxymethylene oligomers
    Ahmed M. Rozza, Danny E. P. Vanpoucke, Eva-Maria Krammer, Julie Bouckaert, Ralf Blossey, Marc F. Lensink, Mary Jo Ondrechen, Imre Bakó, Julianna Oláh, and Goedele Roos,
    J. Mol. Liq. 384, 122172 (2023),
    doi: 10.1016/j.molliq.2023.122172 {IF(2021)=6.633}
  2. Elucidating the optimized P2 type Na0.67Mn1−xCuxO2 cathode active material via operando XAS
    S. Altin, S. Altundag, E. Altin, D. E. P. Vanpoucke, S. Avci, and M. N. Ates,
    J. Alloys Compd. 936, 168138 (2023),
    doi: 10.1016/j.jallcom.2022.168138 {IF(2021)=6.371}

2022

  1. Cover Polymer International
    Danny E.P. Vanpoucke, Marie A.F. Delgove, Jules Stouten, Jurrie Noordijk, Nils De Vos, Kamiel Matthysen, Geert G.P. Deroover, Siamak Mehrkanoon, and Katrien V. Bernaerts,
    Polymer International 71(8), i-i (2022),
    doi: 10.1002/pi.6434 {IF(2021)=3.213}
  2. A machine learning approach for the design of hyperbranched polymeric dispersing agents based on aliphatic polyesters for radiation curable inks
    Danny E.P. Vanpoucke, Marie A.F. Delgove, Jules Stouten, Jurrie Noordijk, Nils De Vos, Kamiel Matthysen, Geert G.P. Deroover, Siamak Mehrkanoon, and Katrien V. Bernaerts,
    Polymer International 71(8), 966-975 (2022),
    doi: 10.1002/pi.6378 {IF(2021)=3.213}
  3. Localized vibrational modes of GeV-centers in diamond: Photoluminescence and first-principles phonon study
    Kirill N. Boldyrev, Vadim S. Sedov, Danny E.P. Vanpoucke, Victor G. Ralchenko, and Boris N. Mavrin
    Diam. Relat. Mater. 126, 109049 (2022),
    doi: 10.1016/j.diamond.2022.109049 {IF(2021)=3.806}
  4. On the influence of water on THz vibrational spectral features of molecular crystals
    Sergey Mitryukovskiy, Danny E. P. Vanpoucke, Yue Bai, Théo Hannotte, Mélanie Lavancier, Djamila Hourlier, Goedele Roos and Romain Peretti,
    PhysChemChemPhys 24(10), 6107-6125 (2022),
    doi: 10.1039/D1CP03261E {IF(2021)=3.945}
  5. Deep Eutectic Solvents as Nonflammable Electrolytes for Durable Sodium-Ion Batteries
    Dries De Sloovere, Danny E. P. Vanpoucke, Andreas Paulus, Bjorn Joos, Lavinia Calvi, Thomas Vranken, Gunter Reekmans, Peter Adriaensens, Nicolas Eshraghi, Abdelfattah Mahmoud, Frédéric Boschini, Mohammadhosein Safari, Marlies K. Van Bael, An Hardy
    Advanced Energy & Sustainability Research 3(3), 2100159 (2022),
    doi: 10.1002/aesr.202100159 {IF(2022)=NA}

2021

  1. Assigning probabilities to non-Lipschitz mechanical systems
    Danny E. P. Vanpoucke, and Sylvia Wenmackers
    Chaos 31(12), 123131 (2021),   [Editor’s Pick]
    doi: 10.1063/5.0063388 {IF(2021)=3.741}
  2. Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers
    Rozita Rouzbahani, Shannon S. Nicley, Danny E. P. Vanpoucke, Fernando Lloret, Paulius Pobendinskas, Daniel Araujo, and Ken Haenen,
    Carbon 172, 463-473 (2021),
    doi: 10.1016/j.carbon.2020.10.061 {IF(2021)=11.307}

2020

  1. Small Data Materials Design with Machine Learning: When the Average Model Knows Best
    Danny E. P. Vanpoucke, Onno S. J. van Knippenberg, Ko Hermans, Katrien V. Bernaerts, and Siamak Mehrkanoon
    J. Appl. Phys. 128 (5), 054901 (2020), [Featured Article][Scilight]
    doi: 10.1063/5.0012285 {IF(2021)=2.877}
  2. Partitioning the vibrational spectrum: Fingerprinting defects in solids
    Danny E. P. Vanpoucke,
    Comput. Mater. Sci. 181, 109736 (2020),
    doi: 10.1016/j.commatsci.2020.109736 {IF(2021)=3.572}
  3. Influence of diamond crystal orientation on the interaction with biological matter
    Viraj Damle, Kaiqi Wu, Oreste De Luca, Natalia Ortí-Casañ, Neda Norouzi, Aryan Morita, Joop de Vries, Hans Kaper, Inge Zuhorn, Ulrich Eisel, Danny E.P. Vanpoucke, Petra Rudolf, and Romana Schirhagl,
    Carbon 162, 1-12 (2020),
    doi: 10.1016/j.carbon.2020.01.115 {IF(2021)=11.307}
  4. UV-Curable Biobased Polyacrylates Based on a Multifunctional 2 Monomer Derived from Furfural
    Jules Stouten, Danny E. P. Vanpoucke, Guy Van Assche, and Katrien V. Bernaerts,
    Macromolecules 53(4), 1388-1404 (2020),
    doi: 10.1021/acs.macromol.9b02659 {IF(2021)=6.051}
  5. Investigation of structural, electronic and magnetic properties of breathing metal–organic framework MIL-47(Mn): a first principles approach
    Mohammadreza Hosseini, Danny E.P. Vanpoucke, Paolo Giannozzi, Masoud Berahman, Nasser Hadipour,
    RSC Adv. 10, 4786-4794 (2020),
    doi: 10.1039/C9RA09196C {IF(2021)=4.036}

2019

  1. Can Europium Atoms form Luminescent Centres in Diamond: A combined Theoretical-Experimental Study
    Danny E. P. Vanpoucke, Shannon S. Nicley, Jorne Raymakers, Wouter Maes, and Ken Haenen,
    Diam. Relat. Mater. 94, 233-241 (2019),
    doi: 10.1016/j.diamond.2019.02.024 {IF(2019)=2.650}
  2. Synthesis, characterization and thermodynamic stability of nanostructured ε-iron carbonitride powder prepared by a solid-state mechanochemical route
    Seyyed Amin Rounaghi, Danny E. P. Vanpoucke, Elaheh Esmaeili, Sergio Scudino, and Jürgen Eckert
    J. Alloys Compd. 778, 327-336 (2019),
    doi: 10.1016/j.jallcom.2018.11.007 {IF(2019)=4.650 }
  3. Predicting Partial Atomic Charges in Siliceous Zeolites
    Jarod J. Wolffis, Danny E. P. Vanpoucke, Amit Sharma, Keith V. Lawler, and Paul M. Forster,
    Microporous and Mesoporous Materials 277, 184-196 (2019),
    doi: 10.1016/j.micromeso.2018.10.028 {IF(2019)=4.551}

2018

  1. Bookchapter:”Computational Chemistry Experiment Possibilities”
    Bartłomiej M. Szyja and Danny E. P. Vanpoucke
    Zeolites and Metal-Organic Frameworks. From Lab to Industry., Chapter 9, p 235-264 (2018),
    ISBN : 978-94-629-8556-8
    Amsterdam University Press

2017

  1. Revisiting the Neutral C-Vacancy in Diamond: Localization of Electrons through DFT+U
    Danny E. P. Vanpoucke, and Ken Haenen
    Diam. Relat. Mater. 79, 60-69 (2017),
    doi: 10.1016/j.diamond.2017.08.009 {IF(2017)=2.232}
  2. A combined experimental and theoretical investigation of the Al-Melamine reactive milling system: a mechanistic study towards AlN-based ceramics
    Seyyed A. Rounaghi, Danny E. P. Vanpoucke, Hossein Eshghi, Sergio Scudino, Elaheh Esmaeili, Steffen Oswald, and Jürgen Eckert
    J. Alloys Compd. 729, 240-248 (2017),
    doi: 10.1016/j.jallcom.2017.09.168 {IF(2017)=3.779}
  3. Mechanochemical synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride: A combined theoretical and experimental study
    Seyyed Amin Rounaghi, Danny E. P. Vanpoucke, Hossein Eshghi, Sergio Scudino, Elaheh Esmaeili, Steffen Oswald, and Jürgen Eckert,
    Phys. Chem. Chem. Phys. 19, 12414-12424 (2017),
    doi: 10.1039/C7CP00998D {IF(2017)=3.906}
  4. Linker Functionalization in MIL-47(V)-R Metal–Organic Frameworks: Understanding the Electronic Structure
    Danny E. P. Vanpoucke,
    J. Phys. Chem. C 121(14), 8014-8022 (2017),
    doi: 10.1021/acs.jpcc.7b01491 {IF(2017)=4.484}

2016

  1. Mechanochemical route to the synthesis of nanostructured Aluminium nitride
    Seyyed Amin Rounaghi, Hossein Eshghi, Sergio Scudino, Anastasia Vyalikh, Danny E. P. Vanpoucke, Wolfgang Gruner, Steffen Oswald, Ali-Reza Kiani-Rashid, Mohsen Samadi-Khoshkhoo, Ulrich Scheler, and Jürgen Eckert
    Scientific Reports 6, 33375 (2016),
    doi: 10.1038/srep33375 {IF(2016)=4.259}
  2. First-Principles Study of Antisite Defect Configurations in ZnGa2O4:Cr Persistent Phosphors
    Arthur De Vos, Kurt Lejaeghere, Danny E.P. Vanpoucke, Jonas J. Joos, Philippe F. Smet, and Karen Hemelsoet,
    Inorg. Chem. 55(5), 2402–2412 (2016),
    doi: 10.1021/acs.inorgchem.5b02805 {IF(2016)=4.857}
  3. Computational Materials Science: Where Theory Meets Experiments
    Danny E. P. Vanpoucke,
    ICACC 2015 conference proceeding, Developments in Strategic Ceramic Materials: Ceramic Engineering and Science Proceedings 36(8), 323-334 (2016),
    ISBN: 978-1-119-21173-0
  4. Doping of CeO2 as a Tunable Buffer Layer for Coated Superconductors: A DFT Study of Mechanical and Electronic Properties
    Danny E. P. Vanpoucke,
    ICACC 2015 conference proceeding, Developments in Strategic Ceramic Materials: Ceramic Engineering and Science Proceedings 36(8), 169-177 (2016),
    ISBN: 978-1-119-21173-0

2015

  1. Understanding intrinsic light absorption properties of UiO-66 frameworks: A combined theoretical and experimental study
    Kevin Hendrickx, Danny E.P. Vanpoucke, Karen Leus, Kurt Lejaeghere, Andy Van Yperen-De Deyne, Veronique Van Speybroeck, Pascal Van Der Voort, and Karen Hemelsoet
    Inorg. Chem. 54(22), 10701-10710 (2015),
    doi: 10.1021/acs.inorgchem.5b01593 {IF(2015)=4.820}
  2. A Flexible Photoactive Titanium Metal-Organic Framework Based on a [TiIV3(μ3-O)(O)2(COO)6] Cluster
    Bart Bueken, Frederik Vermoortele, Danny E. P. Vanpoucke, Helge Reinsch, Chih-Chin Tsou, Pieterjan Valvekens, Trees De Baerdemaeker, Rob Ameloot, Christine E. A. Kirschhock, Veronique
    Van Speybroeck, James M. Mayer and Dirk De Vos,
    Angew. Chem. Int. Ed. 54(47), 13912-13917 (2015),
    doi: 10.1002/anie.201505512 {IF(2015)=11.705}
  3. Cover Image of CrystEngComm
    Thomas Bogaerts, Louis Vanduyfhuys, Danny E.P. Vanpoucke, Jelle Wieme, Michel Waroquier, Pascal Van Der Voort, and Veronique Van Speybroeck,
    Cryst. Eng. Comm. 17(45), 8565 (2015),
    doi: 10.1039/C5CE90198G {IF(2015)=3.849}
  4. Fine-tuning the theoretically predicted structure of MIL-47(V) with the aid of powder X-ray diffraction
    Thomas Bogaerts, Louis Vanduyfhuys, Danny E.P. Vanpoucke, Jelle Wieme, Michel Waroquier, Pascal Van Der Voort, and Veronique Van Speybroeck,
    Cryst. Eng. Comm. 17(45), 8612-8622 (2015),
    doi: 10.1039/C5CE01388G {IF(2015)=3.849}
  5. Mechanical Properties from Periodic PlaneWave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework
    Danny E. P. Vanpoucke, Kurt Lejaeghere, Veronique Van Speybroeck, Michel Waroquier, and An Ghysels,
    J. Phys. Chem. C 119(41), 23752-23766 (2015),
    doi: 10.1021/acs.jpcc.5b06809 {IF(2015)=4.509}
  6. Convergence of Atomic Charges with the Size of the Enzymatic Environment
    Danny E. P. Vanpoucke, Julianna Oláh, Frank De Proft, Veronique Van Speybroeck, and Goedele Roos
    J. Chem. Inf. Model. 55(3), 564-571 (2015),
    doi: 10.1021/ci5006417 {IF(2015)=3.657}

2014

  1. Comment on ‘Europium doping induced symmetry deviation and its impact on the second harmonic generation of doped ZnO nanowires’
    Danny E. P. Vanpoucke,
    Nanotechnology 25(45), 458001 (2014),
    doi: 10.1088/0957-4484/25/45/458001 {IF(2014)=3.821}
  2. Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles
    Danny E. P. Vanpoucke, Jan W. Jaeken, Stijn De Baerdemacker, Kurt Lejaeghere
    and Veronique Van Speybroeck
    Beilstein J. Nanotechnol. 5, 1738-1748 (2014),
    doi: 10.3762/bjnano.5.184 {IF(2014)=2.670}
  3. Aliovalent Doping of CeO2: DFT study of oxidation state and vacancy effects
    Danny E. P. Vanpoucke, Patrick Bultinck, Stefaan Cottenier, Veronique Van Speybroeck, and Isabel Van Driessche
    J. Mater. Chem. A 2, 13723-13737 (2014),
    doi:10.1039/C4TA02449D {IF(2014)=7.443}
  4. Rationality: A Social-Epistemology Perspective
    Sylvia Wenmackers, Danny E. P. Vanpoucke, and Igor Douven,
    Front. Psychol. 5, 581 (14 pages) (2014),
    doi: 10.3389/fpsyg.2014.00581 {IF(2014)=2.560}
  5. Modeling 1D structures on semiconductor surfaces: Synergy of theory and experiment
    Danny E. P. Vanpoucke,
    J. Phys.: Condens. Matter 26(13), 133001 (2014), (commissioned Topical Review)
    doi: 10.1088/0953-8984/26/13/133001 {IF(2014)=2.346}
  6. Tetravalent Doping of CeO2: The impact of valence electron character on group IV dopant influence
    Danny E. P. Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Isabel Van Driessche, and Patrick Bultinck,
    J. Am. Ceram. Soc. 97(1), 258-266 (2014),
    doi:10.1111/jace.12650 {IF(2014)=2.610}

2013

  1. New Functionalized Metal-Organic Frameworks MIL-47-X (X = -Cl, -Br, -CH3, -CF3, -OH, -OCH3): Synthesis, Characterization and CO2 Adsorption Properties
    Shyam Biswas, Danny E. P. Vanpoucke, Toon Verstraelen, Matthias Vandichel, Sarah Couck, Karen Leus, Ying-Ya Liu, Michel Waroquier, Veronique Van Speybroeck, Joeri F. M. Denayer, and Pascal Van Der Voort,
    J. Phys. Chem. C 117(44), 22784-22796 (2013),
    doi: 10.1021/jp406835n {IF(2013)=4.835}
  2. Cover Image of Journal of Computational Chemistry
    Danny E. P. Vanpoucke,
    J. Comput. Chem. 34(5), i-ii (2013),
    doi:10.1002/jcc.23239 {IF(2013)=3.601}
  3. Reply to ‘Comment on “Extending Hirshfeld-I to bulk and periodic materials” ‘
    Danny E. P. Vanpoucke, Isabel Van Driessche, and Patrick Bultinck,
    J. Comput. Chem. 34(5), 422-427 (2013),
    doi:10.1002/jcc.23193 {IF(2013)=3.601}
  4. Extending Hirshfeld-I to bulk and periodic materials
    Danny E. P. Vanpoucke, Patrick Bultinck, and Isabel Van Driessche,
    J. Comput. Chem. 34(5), 405-417 (2013),
    doi:10.1002/jcc.23088 {IF(2013)=3.601}

2012

  1. Investigation of tunable buffer layers for coated superconductors:from solid state physics to quantum chemistry
    Danny E. P. Vanpoucke,
    Ph.D. Thesis at University of Ghent, Belgium (2012),
  2. Aqueous CSD approach for the growth of novel, lattice-tuned LaxCe1-xOd epitaxial layers
    Vyshnavi Narayanan, Petra Lommens, Klaartje De Buysser, Danny E.P. Vanpoucke, Ruben Huehne,
    Leopoldo Molina, Gustaaf Van Tendeloo , Pascal Van Der Voort, Isabel Van Driessche,
    J. Mater. Chem. 22, 8476 (2012),
    doi:10.1039/C2JM15752G {IF(2012)=6.101}
  3. Models and simulations in material science: two cases without error bars
    Sylvia Wenmackers and Danny E. P. Vanpoucke,
    Statistica Neerlandica 66, 339-355 (2012),
    doi: 10.1111/j.1467-9574.2011.00519.x {IF(2012)=0.585}
  4. Tuning of CeO2 buffer layers for coated superconductors through doping
    Danny E. P. Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Patrick Bultinck, and Isabel Van Driessche,
    Appl. Surf. Sci. 260, 32-35 (2012),
    doi: 10.1016/j.apsusc.2012.01.032, {IF(2012)=2.112}
  5. Probability of inconsistencies in theory revision, A multi-agent model for updating logically interconnected beliefs under bounded confidence
    S. Wenmackers, D. E. P. Vanpoucke and I. Douven,
    Eur. Phys. J. B 85:44(2012),
    doi: 10.1140/epjb/e2011-20617-8 {IF(2012)=1.282}

2011

  1. Pt Nanowires on Ge(001): Sheep in Wolf’s Clothing?
    Danny E. P. Vanpoucke
    Belgian Physical Society Magazine 3, 11-16 (2011), (Featured Article for the BF)
  2. Density functional theory study of La2Ce2O7: disordered fluorite vs pyrochlore structure
    Danny E. P. Vanpoucke, Patrick Bultinck, Stefaan Cottenier, Veronique Van Speybroeck and Isabel Van Driessche,
    Phys. Rev. B 84, 054110 (2011),
    doi: 10.1103/PhysRevB.84.054110 {IF(2011)=3.691}

2010

  1. CO adsorption on Pt-induced Ge nanowires
    Danny E. P. Vanpoucke and G. Brocks,
    Phys. Rev. B 81, 235434 (2010),
    doi: 10.1103/PhysRevB.81.235434 {IF(2010)=3.774}
  2. Pt-induced nanowires on Ge(001): A density functional theory study
    Danny E. P. Vanpoucke and G. Brocks,
    Phys. Rev. B 81, 085410 (2010),
    doi: 10.1103/PhysRevB.81.085410 {IF(2010)=3.774}
  3. Density functional theory study of Pt-induced Ge(001) reconstructions
    Danny E. P. Vanpoucke and G. Brocks,
    Phys. Rev. B 81, 035333 (2010),
    doi: 10.1103/PhysRevB.81.035333 {IF(2010)=3.774}

2009

  1. Ab Initio study of Pt Induced Nanowires on Ge(001)
    Danny E. P. Vanpoucke,
    Ph.D. Thesis at University of Twente, The Netherlands (2009),
    doi: 10.3990/1.9789036528733

    ISBN : 978-90-365-2873-3

  2. The formation of Self-Assembled Nanowire Arrays on Ge(001): a DFT study of Pt Induced Nanowire Arrays
    Danny E. P. Vanpoucke and G. Brocks,
    Mater. Res. Soc. Symp. Proc. 1177, 1177-Z03-09 (2009),
    doi: 10.1557/PROC-1177-Z03-09

2008

  1. Formation of Pt-induced Ge atomic nanowires on Pt/Ge(001): A density functional theory study
    Danny E. P. Vanpoucke and G. Brocks,
    Phys. Rev. B 77, 241308(R) (2008),
    doi: 10.1103/PhysRevB.77.241308 {IF(2008)=3.322}

Editorial work

Computational Nanoscience – How to Exploit Synergy Between Predictive Simulations and Experiment
Curran Associates, Inc. ( Jun 2010 )
series: Materials Research Society Symposium Proceedings Volume 1177
ISBN: 9781617383960
Editor: Vanpoucke D.
proceedings.com

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