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| | Issue Date | Title | Contributor(s) | Type | Cat. |
| 1 | 2024 | First-principles investigation of hydrogen-related reactions on (100)–(2 × 1):H diamond surfaces | GUILLAUME, Emerick; VANPOUCKE, Danny E.P.; ROUZBAHANI BAYATANI, Rozita; Pratali Maffei, Luna; Pelucchi, Matteo; Olivier, Yoann; Henrard, Luc; HAENEN, Ken | Journal Contribution | A1 |
| 2 | 2023 | Hydration sphere structure of architectural molecules: Polyethylene glycol and polyoxymethylene oligomers | Rozza, Ahmed M.; VANPOUCKE, Danny E.P.; Krammer, Eva-Maria; Bouckaert, Julie; Blossey, Ralf; Lensink, Marc F.; Ondrechen, Mary Jo; Bakó, Imre; Oláh, Julianna; Roos, Goedele | Journal Contribution | A1 |
| 3 | 2023 | Materials design through ensemble learning: When the average model knows best | VANPOUCKE, Danny E.P.; Mehrkanoon, Siamak; Bernaerts, Katrien V. | Conference Material | C2 |
| 4 | 2023 | How to verify the precision of density-functional-theory implementations via reproducible and universal workflows | Bosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Blügel, Stefan; Bröder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kühne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Müller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Poncé, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; VANPOUCKE, Danny E.P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni | Journal Contribution | A1 |
| 5 | 2023 | Elucidating the optimized P2 type Na0.67Mn1−xCuxO2 cathode active material via operando XAS | Altin, S.; Altundag, S.; Altin, E.; VANPOUCKE, Danny E.P.; Avci, S.; Ates, M.N. | Journal Contribution | A1 |
| 6 | 2023 | Approaching the diamond surface: first principles modelling the physics and chemistry of approaching radicals | VANPOUCKE, Danny E.P. | Conference Material | C2 |
| 7 | 2023 | De ontwikkeling van een interdisciplinair futureproof curriculum in de bètawetenschappen | DOUMEN, Sarah; BAETEN, Dorien; NOTERMANS, Jolien; DENOLF, Katleen; VANDEWAL, Koen; VANDAMME, Dries; NESLADEK, Milos; GRAULUS, Geert-Jan; VANPOUCKE, Danny E.P.; VAN BAEL, Marlies; VANDERZANDE, Dirk; HARDY, An | Journal Contribution | A1 |
| 8 | 2022 | Localized vibrational modes of GeV-centers in diamond: Photoluminescence and first-principles phonon study | Boldyrev, Kirill N.; Sedov, Vadim S.; VANPOUCKE, Danny E.P.; Ralchenko, Victor G.; Mavrin, Boris N. | Journal Contribution | A1 |
| 9 | 2022 | Physics for a sustainable future: the case of the new Master of Materiomics | VANPOUCKE, Danny E.P.; DOUMEN, Sarah; NOTERMANS, Jolien; DENOLF, Katleen; HARDY, An | Conference Material | C2 |
| 10 | 2022 | On the influence of water on THz vibrational spectral features of molecular crystals | Mitryukovskiy, Sergey; VANPOUCKE, Danny E.P.; Hannotte, Theo; Lavancier, Melanie; Hourlier, Djamila; Roos, Goedele; Peretti, Romain | Proceedings Paper | C1 |
| 11 | 2022 | A machine learning approach for the design of hyperbranched polymeric dispersing agents based on aliphatic polyesters for radiation‐curable inks | VANPOUCKE, Danny E.P.; Delgove, Marie AF; Stouten, Jules; Noordijk, Jurrie; De Vos, Nils; Matthysen, Kamiel; Deroover, Geert GP; Mehrkanoon, Siamak; Bernaerts, Katrien V | Journal Contribution | A1 |
| 12 | 2022 | Deep Eutectic Solvents as Nonflammable Electrolytes for Durable Sodium‐Ion Batteries | DE SLOOVERE, Dries; VANPOUCKE, Danny E.P.; VRANKEN, Thomas; PAULUS, Andreas; Eshraghi, Nicolas; CALVI, Lavinia; JOOS, Bjorn; ADRIAENSENS, Peter; Mahmoud, Abdelfattah; Boschini, Frederic; SAFARI, Momo; REEKMANS, Gunter; VAN BAEL, Marlies; HARDY, An | Journal Contribution | A1 |
| 13 | 2022 | On the influence of water on THz vibrational spectral features of molecular crystals | Mitryukovskiy, Sergey; VANPOUCKE, Danny E.P.; Bai, Yue; Hannotte, Theo; Lavancier, Melanie; Hourlier, Djamila; Roos, Goedele; Peretti, Romain | Journal Contribution | A1 |
| 14 | 2022 | Polymer International Interdisciplinary innovation with industrial impact | VANPOUCKE, Danny E.P.; Delgove, Marie AF; Stouten, Jules; Noordijk, Jurrie; De Vos, Nils; Matthysen, Kamiel; Deroover, Geert GP; Mehrkanoon, Siamak; Bernaerts, Katrien V | Other | O |
| 15 | 2022 | Materials design through ensemble learning: When the average model knows best | VANPOUCKE, Danny E.P.; Mehrkanoon, Siamak; Bernaerts, Katrien; Van Knippenberg, O. S. J.; Hermans, K | Conference Material | C2 |
| 16 | 2022 | Physics for a sustainable future: the case of the new Master of Materiomics | DOUMEN, Sarah; NOTERMANS, Jolien; DENOLF, Katleen; VANPOUCKE, Danny E.P.; HARDY, An | Proceedings Paper | C2 |
| 17 | 2021 | Impact of methane concentration on surface morphology and boron incorporation of heavily boron-doped single crystal diamond layers | ROUZBAHANI BAYATANI, Rozita; NICLEY, Shannon; Araujo, Daniel; VANPOUCKE, Danny E.P.; POBEDINSKAS, Paulius; HAENEN, Ken; LLORET, Fernando | Journal Contribution | A1 |
| 18 | 2021 | Assigning probabilities to non-Lipschitz mechanical systems | VANPOUCKE, Danny E.P.; WENMACKERS, Sylvia | Journal Contribution | A1 |
| 19 | 2020 | UV-Curable Biobased Polyacrylates Based on a Multifunctional Monomer Derived from Furfural | Stouten, Jules; VANPOUCKE, Danny E.P.; Van Assche, Guy; Bernaerts, Katrien, V | Journal Contribution | A1 |
| 20 | 2020 | Influence of diamond crystal orientation on the interaction with biological matter | Damle, Viraj; Wu, Kaiqi; De Luca, Oreste; Ortí-Casañ, Natalia; Norouzi, Neda; Morita, Aryan; de Vries , Joop; Kaper, Hans; Zuhorn, Inge S.; Eisel, Ulrich; VANPOUCKE, Danny E.P.; Rudolf, Petra; Schirhagl, Romana | Journal Contribution | A1 |
| 21 | 2020 | Small data materials design with machine learning: When the average model knows best | VANPOUCKE, Danny E.P.; van Knippenberg, Onno S. J.; Hermans, Ko; Bernaerts, Katrien V.; Mehrkanoon, Siamak | Journal Contribution | A1 |
| 22 | 2020 | Partitioning the vibrational spectrum: Fingerprinting defects in solids | VANPOUCKE, Danny E.P. | Journal Contribution | A1 |
| 23 | 2020 | Investigation of structural, electronic and magnetic properties of breathing metal-organic framework MIL-47(Mn): a first principles approach | Hosseini, M; VANPOUCKE, Danny E.P.; Giannozzi, P; Berahman, M; Hadipour, N | Journal Contribution | A1 |
| 24 | 2019 | Synthesis, characterization and thermodynamic stability of nanostructured ε-iron carbonitride powder prepared by a solid-state mechanochemical route | Rounaghi, Seyyed Amin; VANPOUCKE, Danny E.P.; Esmaeili, E.; Scudino, S.; Eckert, J. | Journal Contribution | A1 |
| 25 | 2019 | Predicting Partial Atomic Charges in Siliceous Zeolites | Wolffis, Jarod J.; VANPOUCKE, Danny E.P.; Sharma, Amit; Lawler, Keith V.; Forster, Paul M. | Journal Contribution | A1 |
| 26 | 2019 | Can europium atoms form luminescent centres in diamond: A combined theoretical-experimental study | VANPOUCKE, Danny E.P.; NICLEY, Shannon; RAYMAKERS, Jorne; MAES, Wouter; HAENEN, Ken | Journal Contribution | A1 |
| 27 | 2018 | Computational Chemistry Experiment Possibilities | Szyja, Bartłomiej M.; VANPOUCKE, Danny E.P. | Book Section | B2 |
| 28 | 2017 | Mechanochemical synthesis of nanostructured metal nitrides, carbonitrides and carbon nitride: A combined theoretical and experimental study | Rounaghi, Seyyed Amin; VANPOUCKE, Danny E.P.; Eshghi, Hossein; Scudino, Sergio; Esmaeili, Elaheh; Oswald, Steffen; Eckert, Jürgen | Journal Contribution | A1 |
| 29 | 2017 | A combined experimental and theoretical investigation of the Al-Melamine reactive milling system: a mechanistic study towards AlN-based ceramics | Rounaghi, Seyyed Amin; VANPOUCKE, Danny E.P.; Eshghi, Hossein; Scudino, Sergio; Esmaeili, Elaheh; Oswald, Steffen; Eckert, Jürgen | Journal Contribution | A1 |
| 30 | 2017 | Revisiting the Neutral C-Vacancy in Diamond: Localization of Electrons through DFT+U | VANPOUCKE, Danny E.P.; HAENEN, Ken | Journal Contribution | A1 |
| 31 | 2017 | Linker Functionalization in MIL-47(V)-R Metal–Organic Frameworks: Understanding the Electronic Structure | VANPOUCKE, Danny E.P. | Journal Contribution | A1 |
| 32 | 2016 | Mechanochemical route to the synthesis of nanostructured Aluminium nitride | Rounaghi, S. A.; Eshghi, H.; Scudino, S.; Vyalikh, A.; VANPOUCKE, Danny E.P.; Gruner, W.; Oswald, S.; Kiani Rashid, A. R.; Samadi Khoshkhoo, M.; Scheler, U.; Eckert, J. | Journal Contribution | A1 |
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