Tag: overview
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Filed under blog
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January 1, 2025
Happy 2025
2023 and 2024 have been an intense ride, with both the materiomics program, the tenure track and the research group. Since the previous overview in 2022, the QuATOMs group has seen some growth with the arrival of three new members (Pauline Castenetto, Thijs van Wijk, and Aylin Melan). In addition, Emerick Guillaume defended his PhD on the study of diamond growth.
These are not the only things which happened the last two years, so let us look back at 2023 and 2024 one last time, keeping up with tradition.
1. Publications: +4 (and currently a handful in progress)
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S. Altin, S. Altundag, E. Altin, D. E. P. Vanpoucke, S. Avci, and M. N. Ates,
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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,
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Emerick Y. Guillaume, Danny E. P. Vanpoucke, Rozita Rouzbahani, Luna Pratali Maffei, Matteo Pelucchi, Yoann Olivier, Luc Henrard, and Ken Haenen,
2. Cover publication: +1
Cover Nature Reviews Physics: Accuracy of DFT
3. Project proposals accepted: +2
- QuantumLignin: Elucidating the interactions of lignin building blocks with their environment for the creation of additive models by means of quantum mechanical modelling.
- AI-accelerated quantum mechanical modelling of the optical properties of semiconductor materials: from colour centres in diamond to transition-metal oxides.
4. Completed refereeing tasks: +20
- ACS Photon
- Journal of Physics D: Applied Physics (2x)
- Philosophical Transactions (2x)
- Journal of Materials Chemistry A (2x)
- Journal of Physical Chemistry (3x)
- Diamond and Related Materials (11x)
5. Conferences & seminars: +7/+1 (Attended & Organised)
- SBDD XXVII & SBDD XXVIII, Hasselt University, Belgium, March 15th-17th, 2023 & February 28th-March 1st, 2024 [poster presentations, PhD students & MSc student]
- EAB-workshop on AI in Higher Education, UHasselt, Belgium, April 24th, 2024 [oral presentation]
- DFT-2024: 20th International Conference on Density Functional Theory and its Applications, Paris, France, August 25th-30th, 2024 [oral presentation]
- E-MRS Spring meeting 2023 & 2024, Strassbourg, France, May 29th-June 2nd, 2023 & May 27th-31st, 2024 [oral presentations]
- Summer School: “Materiomics: Innovative Materials From Healthcare Across Quantum To Sustainable Technologies”, UHasselt, Belgium, September 4th-6th, 2024 [member of Organizating Committee; seminar]
- NISM seminar: “Extreme Machine Learning – When the average model knows best” (Prof. L. Henrard), UNamur, Belgium, September 12th, 2024 [invited seminar]
6. Supervised students:
- BSc Projects Physics: 4
- MSc Projects Materiomics: 3
- Internships: 2
7. Hive-STM program:
And now, upward and onward, a new year, a fresh start.
Permanent link to this article: https://dannyvanpoucke.be/review-of-2024/
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Filed under blog
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January 1, 2018
Happy New Year
2017 has come and gone. 2018 eagerly awaits getting acquainted. But first we look back one last time, trying to turn this into a old tradition. What have I done during the last year of some academic merit.
Publications: +4
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Danny E. P. Vanpoucke, and Ken Haenen
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Seyyed A. Rounaghi, Danny E. P. Vanpoucke, Hossein Eshghi, Sergio Scudino, Elaheh Esmaeili, Steffen Oswald, and Jürgen Eckert
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Seyyed Amin Rounaghi, Danny E. P. Vanpoucke, Hossein Eshghi, Sergio Scudino, Elaheh Esmaeili, Steffen Oswald, and Jürgen Eckert,
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Completed refereeing tasks: +8
- The Journal of Physical Chemistry (2x)
- Journal of Physics: Condensed Matter (3x)
- Diamond and Related Materials (3x)
Conferences & workshops: +5 (Attended)
- Int. Conference on Diamond and Carbon Materials (DCM) 2017, Gothenburg, Sweden, September 3rd-7th, 2017 [oral presentation]
- Summerschool: “Upscaling techniques for mathematical models involving multiple scales”, Hasselt, Belgium, June 26th-29th, 2017 [poster presentation]
- VSC-user day, Brussels, Belgium, June 2nd, 2017 [poster presentation]
- E-MRS 2017 Spring Meeting, Strasbourg, France, May 22nd-26th, 2017 [1 oral + 2 poster presentations]
- SBDD XXII, Hasselt University, Belgium, March 8th-10th, 2017 [poster presentation]
PhD-students: +1
- Mohammadreza Hosseini (okt.-… ,Phd student physical chemistry, Tarbiat Modares University, Teheran, Iran)
Bachelor-students: +2
Current size of HIVE:
- 48.5K lines of program (code: 70 %)
- ~70 files
- 45 (command line) options
Hive-STM program:
And now, upward and onward, a new year, a fresh start.
Permanent link to this article: https://dannyvanpoucke.be/review-of-2017-en/
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Filed under blog
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January 1, 2017
2016 has come and gone. 2017 eagerly awaits getting acquainted. But first we look back one last time, trying to turn this into a tradition. What have I done during the last year of some academic merit.
Publications: +4
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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
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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
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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
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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
Completed refereeing tasks: +5
- ACS Sustainable Chemistry & Engineering
- The Journal of Physical Chemistry
- Journal of Physics: Condensed Matter (2x)
- Diamond and Related Materials
Conferences: +4 (Attended) & + 1 (Organized)
- tUL Life Science Research Day, Bilzen, Belgium, October 6th, 2016 [poster presentation]
- Colloquium Condensed Matter Science in Porous Frameworks, Groningen, The Netherlands, September 4th-9th, 2016 [Organised 2-day colloquium as part of the CMD conference]
- Annual Meeting of the Belgian Physical society, Ghent University, Belgium, May 18th, 2016 [oral presentation]
- SBDD XXI, Hasselt University, Belgium, March 9th-11th, 2016
- Virtual winter school on Computational Chemistry, winterschool.cc, February 3rd-9th, 2016 [invited oral presentation]
PhD-students: +2
- Arthur De Vos : (Jan.-Mar., Ghent University, Ghent, Belgium )
- Mohammadreza Hosseini (okt.-… ,Phd student physical chemistry, Tarbiat Modares University, Teheran, Iran)
Current size of HIVE:
- 47K lines of program (code: 70 %)
- 70 files
- 44 (command line) options
Hive-STM program:
And now, upward and onward, a new year, a fresh start.
Permanent link to this article: https://dannyvanpoucke.be/review-of-2016-en/
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Filed under blog
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January 1, 2016
With 2015 having past on moving quickly toward oblivion, and 2016 freshly knocking at our door, it is time to look back and contemplate what we have done over the course of the previous year.
Publications: +5
- “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, Journal of Chemical Information and Modeling 55(3), 564-571 (2015),
doi: 10.1021/ci5006417
- “Mechanical Properties from Periodic Plane Wave Quantum Mechanical codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework”
Danny E. P. Vanpoucke, Kurt Lejaeghere, Michel Waroquier Veronique Van Speybroeck, and An Ghysels, Journal of Physical Chemistry C 119(41), 23752-23766 (2015),
doi: 10.1021/acs.jpcc.5b06809
- “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, Crystal Engineering Communications 17(45), 8612-8622 (2015),
doi: 10.1039/C5CE01388G
- “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, Angewandte Chemie, International Edition 54(47), 13912-13917 (2015),
doi: 10.1002/anie.201505512
- “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, Inorganic Chemistry 54(22), 10701-10710 (2015),
doi: 10.1021/acs.inorgchem.5b01593
Journal covers:+1
Completed refereeing tasks: +11
- ACS Catalysis
- Frontiers in Physics (2x)
- Journal of Physics: Condensed Matter
- Proceedings for 39th International Conference & Exposition on Advanced Ceramics & Composites
- Applied Physics Letters (2x)
- Materials Science in Semiconductor Processing
- Journal of Superconductivity and Novel Magnetism (2x)
- Surface Science
Conferences: +3 (Attended) & + 1 (Organized)
- 39th International Conference and exposition on Advanced Ceramics and Composites, Daytona Beach, Florida, United States, January 25-30th, 2015 [1 invited oral presentation + 1 contributed oral presentations]
- Belgian Physical Society Meeting, Liège, Belgium, May 13th, 2015 [poster presentation]
- Annual Scientific Meeting IAP P7/05, Hasselt, Belgium, September 11th, 2015 [poster presentation]
- Spring School on Computational Tools for Materials Science, Ghent, Belgium, April 13-17th 2015 [Organised spring school]
Master-students: +1
- Arthur De Vos : Combined theoretical-experimental study of chromium doped zinc gallate phosphor
Jury member of PhD-thesis committee: +1
- Ir. Yuanyuan Guan
Title: Development of a method to determine the solubility ranges of intermetallic compounds in metal-metal connections
PhD candidate at KU Leuven with Prof. Dr. Ir. Nele Moelans
Department of Materials Engineering
Current size of HIVE:
- 44K lines of program (code: 71 %)
- 64 files
- 40 (command line) options
Hive-STM program:
And now, upward and onward, a new year, a fresh start.
Permanent link to this article: https://dannyvanpoucke.be/review-of-2015-en/
