Review of 2015

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 [Ti^IV₃(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

• Crystal Engineering Communications 17(45), 8565-8565 (2015)
  doi: 10.1039/C5CE90198G

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)

• 39^th International Conference and exposition on Advanced Ceramics and Composites, Daytona Beach, Florida, United States, January 25-30^th, 2015 [1 invited oral presentation + 1 contributed oral presentations]
• Belgian Physical Society Meeting, Liège, Belgium, May 13^th, 2015 [poster presentation]
• Annual Scientific Meeting IAP P7/05, Hasselt, Belgium, September 11^th, 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:

• 41 new users (making for a total of 228 users)

And now, upward and onward, a new year, a fresh start.