Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 26th Nov 2022, 02:26:05pm CET

 
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Session Overview
Date: Thursday, 12/Aug/2021
8:30am - 4:30pmSchool - Aperiodic: Workshop on Aperiodic and Magnetic Structure for Beginners
Location: Institute of Physics, Czech Academy of Sciences
Session Chair: Václav Petříček
Session Chair: Margarida Henriques
9:00am - 4:00pmWorkshop CCDC/FIZ: CSD and ICSD workshop
Location: virtual
Session Chair: Suzanna Ward
Session Chair: Annett Steudel
9:00am - 6:30pmSchool - Electron 2: Electron Crystallography School
Location: virtual
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
 

ED Data Processing theory

David Geoffrey Waterman

STFC, Didcot, United Kingdom



Different methods for phasing diffraction data – macromolecules

Isabel Usón1, Claudia Millán3, Rafael J. Borges3, Logan S. Richards4, Maria D. Flores4, Michael R. Sawaya5, José A. Rodriguez4, George M. Sheldrick2

1ICREA at IBMB-CSIC, Barcelona, Spain; 2University Göttingen, Germany; 3IBMB-CSIC; 4Department of Chemistry and Biochemistry; UCLA-DOE Institute for Genomics and Proteomics;(UCLA); Los Angeles, CA 90095, USA.; 5UCLA-DOE Institute for Genomics and Proteomics, Los Angeles, CA 90095, USA.

 
9:00am - 6:30pmSEC - Posters: Electron Crystallography School - Poster
Location: virtual
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
 

Quantitative analysis of diffuse electron scattering in the lithium-ion battery cathode material Li1.2Ni0.13Mn0.54Co0.13O2

Romy Poppe1, Daphne Vandemeulebroucke1, Reinhard B. Neder2, Joke Hadermann1

1University of Antwerp, Department of Physics, Electron Microscopy for Materials Science (EMAT), Groenenborgerlaan 171, B-2020 Antwerp, Belgium; 2Friedrich-Alexander-Universität Erlangen-Nürnberg, Department of Physics, Institute of Condensed Matter Physics, Schloßplatz 4, 91054 Erlangen, Germany



Theoretical electrostatic potential maps of macromolecules calculated with multipolar electron scattering factors

Marta Kulik, Michał Leszek Chodkiewicz, Paulina Maria Dominiak

Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Warsaw, Poland



Spinel ferrite nanoparticles in core shell architecture for heat release

Marco Sanna Angotzi

University of Cagliari, Cagliari, Italy



Refinements on electron diffraction data of β-glycine in MoPro: A quest for improved structure model

Kunal Kumar Jha1, Barbara Gruza1, Michał Leszek Chodkiewicz1, Christian Jelsch2, Paulina Maria Dominiak1

1University of Warsaw, Warsaw, Poland; 2Université; de Lorraine, CNRS, CRM2, Nancy, France



Crystal structure of Zeolite A solved by Precession Electron Diffraction Tomography

Juan Ignacio Tirado Castaño1, Jose Luis Jorda1, Partha Pratim Das2

1ITQ-UPV, Valencia, Spain; 2NanoMEGAS SPRL, Rue Émile Claus 49 bte 9, 1050, Brussels, Belgium



Investigating structure transformations of LaxSr2-xMnO4-δ using in situ 3D electron diffraction in a gas environment

Daphne Vandemeulebroucke, Maria Batuk, Joke Hadermann

1EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium



Scipion-ed: a workflow-based and self-documenting program for 3DED data processing

Viktor E. G. Bengtsson1, José Miguel de la Rosa-Trevin2, Laura Pacoste1, Gerhard Hofer1, Hongyi Xu1, Xiaodong Zou1

1Department of Materials and Environmental Chemistry, Stockholm University, Stockholm; 2Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, Stockholm



Model dependence (IAM vs. TAAM) of B-factors - cases of X-ray and electron diffraction

Barbara Gruza1, Christian Jelsch2, Paulina Dominiak1

1University of Warsaw, Warszawa, Poland; 2CNRS: Vandoeuvre les Nancy, France



On the Quality of Three-Dimensional Electron Diffraction Data for Direct Location of Guest Molecules in Open-Framework Materials

Meng Ge, Zhehao Huang, Hongyi Xu, Xiaodong Zou

Department of Materials and Environmental Chemistry, Stockholm University, 10691 Stockholm, Sweden



Utilizing Scipion-ED for 3DED data processing

Laura C. Pacoste1, Viktor E.G. Bengtsson1, José Miguel de la Rosa-Trevín2, Gerhard Hofer1, Hongyi Xu1, Xiaodong Zou1

1Stockholm Univeristy, Stockholm, Sweden; 2Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University



Structural basis of higher-order assembly formation in Toll-like receptor 1,2 and 6 signaling pathway

YAN LI

The University of Queensland, St Lucia, Australia



Prospects for improved quantitative electron diffraction.

Richard Beanland

University of Warwick, Coventry, United Kingdom



Analysis of electrostatic interaction energies in complexes of IFIT5 proteins with RNA via UBDB+EPMM method

Urszula Anna Budniak, Paulina Maria Dominiak

Department of Chemistry, University of Warsaw, Warsaw, Poland



Polymorphism within molecular systems revelaed by 3D electron diffraction.

Edward Thomas Broadhurst

The University of Edinburgh, Edinburgh, United Kingdom



Unraveling unforeseen disorders in silicates with 3D electron diffraction

Jungyoun Cho, Xiaodong Zou, Tom Willhammar

Stockholm University, Stockholm, Sweden

 
9:00am - 6:30pmWorkshop - Data2: When should small molecule crystallographers publish raw diffraction data?
Location: virtual
Session Chair: Amy Sarjeant
Session Chair: Simon John Coles

 
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