Name: DGK Jahrestagung 2021
Start: 2021-03-15T08:00:00+01:00
End: 2021-03-18T18:00:00+01:00
Location: DESY

DGK Jahrestagung 2021

from Monday 15 March 2021 (08:00) to Thursday 18 March 2021 (18:00)

Monday 15 March 2021

13:00 Opening
Opening
13:00 - 13:20
Room: https://desy.zoom.us/j/93703829936
13:20
13:20 - 14:30
Room: https://desy.zoom.us/j/93703829936
Contributions

13:20 Massive X-ray screening against SARS-CoV-2 main protease - Alke Meents (DESY)

13:55 Research activities at the HZB-MX beamlines directed towards fighting SARS-CoV-2 - Manfred S. Weiss (Macromolecular Crystallography, Helmholtz-Zentrum Berlin)
14:30 Coffee break
Coffee break
14:30 - 14:45
14:45
14:45 - 16:25
Contributions

14:45 Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate - Toms Rekis (University of Bayreuth)

15:05 The application of mean field theory to single crystal diffuse scattering - Ella Schmidt (University of Oxford)

15:25 Tunable bonding in the incipient metal thermoelectric GeTe - Simon Kimber (Université Bourgogne Franche-Comté)

15:45 First order CDW phase transitions in R2Ir3Si5 (R = Ho, Er, Lu) - Sander van Smaalen (University of Bayreuth)

16:05 Information Theory and Crystallography – a Fruitful Combination for Assessing Crystal Structure Complexity? - Gregor Kieslich (Technical University of Munich)
14:45 - 16:25
Contributions

14:45 Exomorphism of Jacobsite Precipitates in Bixbyite Single Crystals from the Thomas Range in Utah - Johannes Peter (Technical University of Darmstadt, Institute of Applied Geosciences, Working Group: Geomaterialscience)

15:15 Three-dimensional electron diffraction for structure and property analysis of metal-organic framework nanocrystals - Zhehao Huang (Stockholm University)

15:45 Combining Pair Distribution Function Mapping and Multivariate Statistic Analysis to Quantify Structures in Nanoscale Heterogeneous Amorphous Materials - Xiaoke Mu (KIT, Karlsruhe)

16:05 ELECTRON DIFFRACTION AND NANOCRYSTALLOGRAPHY: A DEVICE DEDICATED TO THE CRYSTALLOGRAPHIC COMMUNITY - Gustavo Santiso-Quinones (Eldico Scientific AG)
14:45 - 16:25
Contributions

14:45 A mineral with new loop-branched sechser single chains Khurayyimite Ca7Zn4(Si2O7)2(OH)10·4H2O - Biljana Krüger (Institute of Mineralogy and Petrography, University of Innsbruck)

15:05 The telluridogallates REGaTe2 (RE = La – Nd) - Tobias Lindemann (Institute of Mineralogy, Crystallography and Materials Science)

15:25 The Lanthanoid Oxoantimonate(III) Bromides $Ln$Sb$_2$O$_4$Br ($Ln$ = Eu – Tb): Synthesis, Crystal Structure and Luminescence - Felix Christian Goerigk (University of Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart)

15:45 Structural investigations of mixed anionic rare-earth and transition metals selenide oxides using synchrotron radiation - Dr. Christopher Benndorf (Universität Leipzig)

16:05 Structural variations in RETe1.875–δ – distorted Te nets and chemical bonding - Hagen Poddig (Technische Universität Dresden)
14:45 - 16:25
Contributions

14:45 Chaperone Compounds for Co-crystallization of Organics - Tobias Stuerzer (MA: Bruker AXS GmbH, Karlsruhe; Germany)

15:05 Lattice energies of all known Crystal Structures - Detlef W.M. Hofmann (CRS4)

15:25 .
16:25 Coffee break
Coffee break
16:25 - 16:45
16:45 Max-von-Laue Award Lecture: Self-organization of biomolecular building blocks and inorganic nanoparticles into biohybrid nanomaterials - Tobias Beck (Universität Hamburg)
Max-von-Laue Award Lecture: Self-organization of biomolecular building blocks and inorganic nanoparticles into biohybrid nanomaterials
- Tobias Beck (Universität Hamburg)
16:45 - 17:15
Self-organization of biomolecular building blocks and inorganic nanoparticles into biohybrid nanomaterials
17:15 Max-von-Laue Award Lecture: From the perturbation of crystal symmetry towards functionality - Matthias Zschornak (TU Bergakademie Freiberg, TU Chemnitz )
Max-von-Laue Award Lecture: From the perturbation of crystal symmetry towards functionality
- Matthias Zschornak (TU Bergakademie Freiberg, TU Chemnitz )
17:15 - 17:45
From the perturbation of crystal symmetry towards functionality
17:45 Coffee break
Coffee break
17:45 - 18:00

18:00 DGK Ehrenabend
DGK Ehrenabend
18:00 - 19:30
Tuesday 16 March 2021
09:00
09:00 - 10:00
Room: https://desy.zoom.us/j/93703829936
Contributions

09:00 Atomic resolution structure determination by cryo-EM – where are the limits? - Holger Stark (MPI Göttingen)
10:00 Coffee break
Coffee break
10:00 - 10:15
10:15
10:15 - 11:35
Room: https://desy.zoom.us/j/98209856605
Contributions

10:15 Crystal structure of bacterial cytotoxic necrotizing factor CNFy reveals molecular building blocks for intoxication - Peer Lukat (Structure and Function of Proteins, Helmholtz Centre for Infection Research, Braunschweig, Germany)

10:35 Massive X-ray screening against SARS-CoV-2 main protease - Sebastian Guenther (FS-BMX (FS-CFEL-1 Fachgruppe BMX))

10:55 The Coronavirus Structural Taskforce - Andrea Thorn (Universität Hamburg)
10:15 - 11:35
Room: https://desy.zoom.us/j/95636973549
Contributions

10:15 Direct lock-in transition in 4-biphenylcarboxy substituted L-phenylalaninate crystals - Somnath Dey (Institute of Crystallography, RWTH Aachen University)

10:35 Three-Dimensional Mapping of Diffuse Scattering of Perfect Si - Oleh Ivashko (FS-PETRA-D (FS-PET-D Fachgruppe P07211))

10:55 The complexity of magnetic spin orders and dynamically disordered hydrogen bond networks in a hureaulite-type oxyhydroxide, Mn5[(PO4)2(PO3OH)2](HOH)4 - SoHyun PARK (Ludwig-Maximilians-Universität München, Dept Earth & Environ. Sciences, Section Crystallography)

11:15 Surface modifications of ion- irradiated diamonds - Katja Bunk (Goethe University Frankfurt)
10:15 - 11:35
Room: https://desy.zoom.us/j/99208594918
Contributions

10:15 Luminescent Nitridoalumooxophosphates by High-Pressure / High-Temperature Synthesis - Oliver Oeckler (Leipzig University)

10:35 High-pressure synthesis of novel yttrium nitride, Y5N14, at 50 GPa - Andrii Aslandukov (University of Bayreuth)

10:55 How Occupancy Disorder Impacts Magnetism in Topological Insulators - Laura Folkers (Technische Universität Dresden)

11:15 Charge density wave order in Pr2Ru3Ge5 - Jin-Ke Bao (University of Bayreuth)
10:15 - 11:35
Room: https://desy.zoom.us/j/94315869041
Contributions

10:15 A Crystallographic and Spectroscopic Investigation of Photo-Induced Electron Transfer in Pyrene-(CH2)2-N,N’-Dimethylaniline: Time-Resolved Studies in Solutions and Polymorphic Crystals. - Krishnayan Basuroy

10:20 A One-Dimensional Heterobimetallic Fe(III)/Hg(II) Coordination Polymer Linked by a Ditopic Pyrazole Substituted Acetylacetone - Steven van Terwingen (Institute of Inorganic Chemistry, RWTH Aachen University)

10:25 Encapsulation of inorganic nanoparticles into novel T. maritima encapsulin variants - Michael Rütten (University of Hamburg, Institute of Physical Chemistry, Grindelallee 117 20146 Hamburg, Germany)

10:30 Coordination Polymers featuring Dibenzoyltartaric and Ditoluoyltartaric Acid: A different approach to a popular compound. - Marius Kremer (RWTH Aachen University)

10:35 MOFs of a O,P,N heterotritopic Ligand – One reaction, two networks – A topological analysis - Hans Gildenast (RWTH Aachen)

10:40 .
11:35 Lunch Break Talk | Industry - Excilium
Lunch Break Talk | Industry - Excilium
11:35 - 11:55
Room: https://desy.zoom.us/j/96993464785

Lunch break
Lunch break
11:35 - 12:35

11:55 Lunch Break Talk | Industry - STOE
Lunch Break Talk | Industry - STOE
11:55 - 12:15
Room: https://desy.zoom.us/j/96993464785

12:15 Lunch break talk | Industry - SAES
Lunch break talk | Industry - SAES
12:15 - 12:35
Room: https://desy.zoom.us/j/96993464785

12:35 Poster session
Poster session
12:35 - 14:00
Room: https://live.remo.co/e/29-dgk-jahrestagung
14:00
14:00 - 15:00
Room: https://desy.zoom.us/j/93703829936
Contributions

14:00 3D Pair Distribution Function Analysis in Materials Science - Bo Iversen (Aarhus University)
15:00 Coffee break
Coffee break
15:00 - 15:15
15:15
15:15 - 16:35
Room: https://desy.zoom.us/j/98209856605
Contributions

15:15 EasyAccess Frame - sliding puzzle inspired tool for eased crystal handling - Tatjana Barthel (Helmholtz-Zentrum Berlin)

15:35 Facilities for Macromolecular Crystallography at the HZB - Uwe Müller (Helmholtz Zentrum für Materialien und Energie Berlin)

15:55 The Corona-year 2020 at Biodiffraction Beamline P11 - Johanna Hakanpaeae (FS-PETRA-D (FS-PET-D Fachgruppe P11))

16:15 .
15:15 - 16:35
Room: https://desy.zoom.us/j/99740415075
Contributions

15:15 The low-dimensional magnetic van der Waals compound FeOCl at extreme conditions: pressure and temperature induced phase transitions and structural evolution - Achim M. Schaller (Laboratory of Crystallography, University of Bayreuth)

15:35 Amorphous–amorphous transition in SnI${}_4$ reexamined - Kazuhiro Fuchizaki (Ehime University)

15:55 Experimental Charge Densities of Minerals under Pressure - Krzysztof Wozniak (University of Warsaw, Poland)

16:15 .
15:15 - 16:35
Room: https://desy.zoom.us/j/93771442468
Contributions

15:15 Scattering is a powerful tool to follow nucleation and growth of minerals from solutions - Tomasz Stawski (Bundesanstalt für Materialforschung und -prüfung (BAM))

15:35 Morphology and growth behavior of Cu nanoparticles on the vicinal ZnO(10-14) surface - Robert Gleissner (Deutsches Elektronen-Synchrotron (DESY), FS-NL (Nanolab), Deutschland)

15:55 Self assembled monolayer of silica nanoparticles with improved order by drop casting - Asmaa Qdemat (Forschungszentrum Jülich)

16:15 Crystal structure and lattice dynamics of endotaxial FeSi$_2$ nanowires - Svetoslav Stankov (Karlsruhe Institute of Technology, Germany)
16:35 Coffee break
Coffee break
16:35 - 17:00

17:00 DGK General Assembly
DGK General Assembly
17:00 - 19:00
Room: external link - provided by e-Mail to members
Wednesday 17 March 2021
09:00
09:00 - 10:00
Room: https://desy.zoom.us/j/93703829936
Contributions

09:00 Time-resolved diffraction experiments at an X-ray free electron laser reveal ultrafast structural changes within a photosynthetic reaction centre - Richard Neutze (University of Gothenburg)
10:00 Coffee break
Coffee break
10:00 - 10:15
10:15
10:15 - 11:45
Room: https://desy.zoom.us/j/93854319200
Contributions

10:15 Structure of SARS-CoV-2 papain-like protease PLpro reveals a framework for antiviral inhibitor design - Vasundara Srinivasan (EMBL (Europ. Labor fuer Molekularbiologie))

10:35 Molecular mechanisms of the bacterial DEAH/RHA NTPase HrpA and its role in antibiotics susceptibility - Lena Grass (Freie Universität Berlin)

10:55 .
10:15 - 11:15
Room: https://desy.zoom.us/j/95389284535
Contributions

10:15 Crystal structure, complex phase diagram and re-entrant phase transition in NaSrPO4 - Martin Schreyer (Malvern Panalytical B.V.)

10:35 Disorder in layered tellurides Tt1Pn2Te4 (Tt = Ge, Sn, Pb; Pn = As, Sb, Bi) - Lennart Staab (Universität Leipzig)

10:55 Crystal Structures and Anisotropic Expansion of Coordination Compounds from the Mg(SCN)2 · x H2O/THF System - Sebastian Bette (Max Planck Institute for Solid State Research, University of Stuttgart)
10:15 - 11:45
Room: https://desy.zoom.us/j/97589356644
Contributions

10:15 Termo- and Photo-induced Spin Crossover in a novel 2x2 iron (II) Grid. Crystallography and Photocrystallography studies - Jose Velazquez Garcia (Photon Science - Structural Dynamics in Chemical Systems, Deutsches Elektronen-Synchrotron)

10:35 Bandgap tuning in ZnGeN2: Effective cation disorder control through oxygen incorporation. - Joachim Breternitz (1 Helmholtz-Zentrum Berlin für Materialien und Energie; 2 Universität Potsdam)

10:55 Ab initio structure determination of two new titanium phosphates synthesized via molten salt synthesis. - Hilke Petersen (Max-Planck-Institut für Kohlenforschung, Heterogeneous Catalysis )

11:15 Dynamic disorder of fluoride anions in all-silica zeolites: Enhancing understanding with DFT-based molecular dynamics simulations - Michael Fischer (University of Bremen)
10:15 - 11:45
Room: https://desy.zoom.us/j/95833725489
Contributions

10:15 Clamp Cells for High Pressure Neutron Scattering at Low Temperatures and High Magnetic Fields at the MLZ - Andreas Eich (Forschungszentrum Jülich GmbH)

10:35 The New PHOTON III Detector with Photon Counting in Mixed-Mode Detection - Martin Adam (MA: Bruker AXS GmbH, Karlsruhe; Germany)

10:55 Giant Supramolecules Meet Synchrotron Radiation: Experience with DESY P11 and P24 Beamlines - Alexander Virovets (University of Regensburg)

11:15 First user experiments of the PERCIVAL soft X-ray imager - Jonathan Correa Magdalena (FS-DS (Detektorsysteme))
11:15
11:15 - 11:45
Room: https://desy.zoom.us/j/97428072017
Contributions

11:15 Relativistic Hirshfeld atom refinement of an organo-gold(I) compound - Sylwia Pawlędzio (Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw)
11:45 Lunch Break Talk | Industry - Rigaku
Lunch Break Talk | Industry - Rigaku
11:45 - 12:05
Room: https://desy.zoom.us/j/95083020200

Lunch break
Lunch break
11:45 - 12:30

12:05 Lunch Break Talk | Industry - SmarAct
Lunch Break Talk | Industry - SmarAct
12:05 - 12:25
Room: https://desy.zoom.us/j/95083020200 v

12:25 Lunch Break Talk | Industry - DECTRIS
Lunch Break Talk | Industry - DECTRIS
12:25 - 12:45
Room: https://desy.zoom.us/j/95083020200 EIGER2 CdTe - HPC for a wide range of X-ray energies in synchrotron and laboratory applications

12:30 Get-together: Young Crystallographers
Get-together: Young Crystallographers
12:30 - 14:00
Room: https://desy.zoom.us/j/95833725489
14:00
14:00 - 15:00
Room: https://desy.zoom.us/j/93703829936
Contributions

14:00 Exploring the Complex Structural Landscape and Potential Applications of Rare-Earth Metal–Organic Frameworks - Ashlee J. Howarth (Concordia University, Montreal)
15:00 Coffee break
Coffee break
15:00 - 15:15
15:15
15:15 - 16:35
Room: https://desy.zoom.us/j/96646085289
Contributions

15:15 Oxygen release from nanoporous perovskite oxides and its effect on thermal catalysis applications - Simone Mascotto (University of Hamburg)

15:35 A solid-state chemistry approach for bulk ZnSnN$_{2}$ at ambient pressure - Zhenyu Wang (1. Helmholtz-Zentrum Berlin für Materialien und Energie; 2. Freie Universität Berlin, Department Geosciences)

15:55 Solid-solution modelling using first-principles methods: Case studies for (Cu,Ag)$_2$ZnSnSe$_4$ and (FA,Cs)PbI$_3$ - Daniel Fritsch (Helmholtz-Zentrum Berlin)

16:15 .
15:15 - 16:35
Room: https://desy.zoom.us/j/98065314980
Contributions

15:15 Stabilization mechanisms of pure tetragonal zirconia nanocrystallites using an original supercritical-based synthesis route - GIlles Philippot (University of Boreaux)

15:35 Understanding thermal exfoliation of h-BN using in situ X-ray diffraction - Zhengyu Yan (University of Manchester)

15:55 Tracking the facet-resolved strain state of a PtRh nanoparticle under catalytic reaction conditions - Thomas F. Keller (FS-NL (FS-NL Fachgruppe Mikroskopie))

16:15 Selective in-situ exsolution of catalytically active metals from doped perovskites during methane dry reforming - Florian Schrenk (Institute of Materials Chemistry, TU Wien)
15:15 - 15:55
Room: https://desy.zoom.us/j/97589356644
Contributions

15:15 STRUCTURE-AMMONIA SENSING PROPERTY CORRELATION IN Sn1-xVxO2 MESOPOROUS NANOPARTICLES - Nirman Chakraborty (CSIR Central Glass & Ceramic Research Institute)

15:35 Analyzing Order of Light Anions in LiLa2NH2O by Neutron and X-Ray Powder Diffraction and Spectroscopy - Nicolas Zapp (Leipzig University)
15:15 - 16:35
Room: https://desy.zoom.us/j/95833725489
Contributions

15:15 New polarized neutron diffraction setup for precise investigations of magnetic structures up to 8 T at the MLZ - Vladimir Hutanu (RWTH Aachen University)

15:35 Neutron protein crystallography at the Heinz Maier-Leibnitz Zentrum (MLZ): New developments and recent application examples - T. E. Schrader (1Forschungszentrum Jülich GmbH, Jülich Centre for Neutron Science (JCNS) at Heinz Maier-Leibnitz Zentrum (MLZ))

15:55 Diffractometer portfolio at FRM II neutron source: status and perspectives - Anatoliy Senyshyn (Heinz Maier-Leibnitz Zentrum (MLZ))

16:15 Single Crystal Diffraction Experiments under High Pressure with Hot Neutrons at MLZ - Martin Meven (RWTH Aachen University)
15:55
15:55 - 16:35
Room: https://desy.zoom.us/j/97589356644
Contributions

15:55 Probing ultrafast laser plasma processes inside solids with resonant small-angle X-ray scattering - Lennart Gaus (HZDR)

16:15 Dedicated X-ray diffraction setup for diamond anvil cell studies at the European X-ray free electron laser - Clemens Prescher (Universität Freiburg)
16:35 Coffee break
Coffee break
16:35 - 17:00

17:00 Poster session
Poster session
17:00 - 18:30
Thursday 18 March 2021
09:00
09:00 - 10:00
Room: https://desy.zoom.us/j/93703829936
Contributions

09:00 Fascinating structures of magnetic materials - Małgorzata Holynska (Philipps University Marburg and European Space Research and Technology Centre)
10:00 Coffee break
Coffee break
10:00 - 10:15
10:15
10:15 - 11:35
Room: https://desy.zoom.us/j/91945074784
Contributions

10:15 2D layered perovskite micro-crystalline films as efficient X-Ray dosimeters - Ferdinand Lédée (University of Bologna)

10:35 Study on the anharmonicity of the lead-halide bond and effective pair potentials of chlorine-substituted CH3NH3PbI3 - Götz Schuck (Helmholtz-Zentrum Berlin für Materialien und Energie)

10:55 Tuning the structural and electronic properties of strontium titanite thin films by Ni doping - Zdeněk Jansa

11:15 .
10:15 - 11:35
Room: https://desy.zoom.us/j/97188409324
Contributions

10:15 Tracking nerve-agent simulant decomposition in UiO-67 using in situ total scattering pair distribution function analysis - Maxwell Terban (Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany.)

10:35 High-Throughput Electron Diffraction Reveals a Hidden Novel Metal-Organic Framework - Meng Ge (Stockholm University)

10:55 Water cluster structure in the MOF CAU-10-H: a powder diffraction perspective - Gwilherm Nenert (Malvern Panalytical)

11:15 Discontinuous Three-component Self-assembly: A Leap from Simple Polymers to 3D Networks of Spherical Host-Guest Assemblies - Eugenia Peresypkina (University of Regensburg)
10:15 - 11:35
Room: https://desy.zoom.us/j/97195167153
Contributions

10:15 Crystallization pathway control of Bi$_\text{2}$Fe$_\text{4}$O$_\text{9}$ studied by in situ Pair Distribution Function analysis - Andrea Kirsch (University of Copenhagen)

10:35 Homoepitaxial growth of magnetite (Fe$_3$O$_4$) (001) - Steffen Tober (FS-NL (Nanolab))

10:55 Insitu X-ray analysis of misfit strain and curvature of bent polytypic InxGa1-xAs/GaAs core/shell nanowires - Mahmoud Al-Humaidi (Solid State Physics, University of Siegen and 2 Institute for Photon Science and Synchrotron Radiation, Karlsruhe Institute of Technology)

11:15 Observing the oxidation of platinum under operando electrochemical conditions - Leon Jacobse (FS-NL (Nanolab))
10:15 - 11:35
Room: https://desy.zoom.us/j/94708401030
Contributions

10:15 Analysis of potentially Ferroelectric Strontium Titanate Thin Films with Resonant X-ray Diffraction and Density Functional Theory - Melanie Nentwich (FS-PETRA-D (FS-PET-D Fachgruppe P23 (Russian/Germ)))

10:35 An Anomalous Diffraction study of Cu2Zn(Ge,Si)Se4 - Daniel M. Többens (Helmholtz-Zentrum Berlin (HZB))

10:55 MagStREXS: a Crystallograhic Software for Magnetic Structure Determination from Resonant Magnetic X-ray Diffraction Data - Pablo J. Bereciartua (FS-PETRA-S (FS-PET-S Fachgruppe P09))

11:15 .
11:35 Closing
Closing
11:35 - 12:35
13:00 AK1 Meeting - Roman Fedorov
AK1 Meeting
- Roman Fedorov
13:00 - 15:00
Room: https://desy.zoom.us/j/96079838957
14:00 AK2 Meeting - Ulrich Schwarz (MPI CPfS)
AK2 Meeting
- Ulrich Schwarz (MPI CPfS)
14:00 - 16:00
Room: https://desy.zoom.us/j/94670973275
AK20 Meeting - Claudia Weidenthaler (Max-Planck-Institut für Kohlenforschung, Heterogeneous Catalysis)
AK20 Meeting
- Claudia Weidenthaler (Max-Planck-Institut für Kohlenforschung, Heterogeneous Catalysis)
14:00 - 16:00
Room: Meeting ID: 946 4226 7087
AK6 Meeting - Ulli Englert (Institute of Inorganic Chemistry, RWTH Aachen University)
AK6 Meeting
- Ulli Englert (Institute of Inorganic Chemistry, RWTH Aachen University)
14:00 - 16:00
Room: https://desy.zoom.us/j/98191703519
P11 Open Hutch Day - Johanna Hakanpaeae (FS-PETRA-D (FS-PET-D Fachgruppe P11))
P11 Open Hutch Day
- Johanna Hakanpaeae (FS-PETRA-D (FS-PET-D Fachgruppe P11))
14:00 - 18:00
15:00 AK3 Meeting - Ute Kolb (Johannes Gutenberg-Universität Mainz)
AK3 Meeting
- Ute Kolb (Johannes Gutenberg-Universität Mainz)
15:00 - 17:00
Room: https://desy.zoom.us/j/99645413404
15:30 AK7 Meeting
AK7 Meeting
15:30 - 17:30
Room: https://desy.zoom.us/j/98205741591

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