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: 1st Nov 2024, 12:20:30am CET

 
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Session Overview
Location: virtual
Date: Wednesday, 11/Aug/2021
9:00am
-
6:30pm
School - Electron: Electron Crystallography School
Location: virtual
Chair: Xiaodong Zou
Chair: Louisa Meshi
Chair: Lukáš Palatinus

Website - virtual

 

The development of 3D ED on studying structure and charge state of protein microcystals

Koji Yonekura



Unit cell and space group determination from ED and CBED

Louisa Meshi

Workshop - Data: When should small molecule crystallographers publish raw diffraction data?
Location: virtual
Chair: Amy Sarjeant
Chair: Simon John Coles

Website - virtual

Date: Thursday, 12/Aug/2021
9:00am
-
4:00pm
Workshop CCDC/FIZ: CSD and ICSD workshop
Location: virtual
Chair: Suzanna Ward
Chair: Annett Steudel
9:00am
-
6:30pm
School - Electron 2: Electron Crystallography School
Location: virtual
Chair: Xiaodong Zou
Chair: Louisa Meshi
Chair: Lukáš Palatinus
 

ED Data Processing theory

David Geoffrey Waterman



Different methods for phasing diffraction data – macromolecules

Isabel Usón, Claudia Millán, Rafael J. Borges, Logan S. Richards, Maria D. Flores, Michael R. Sawaya, José A. Rodriguez, George M. Sheldrick

SEC - Posters: Electron Crystallography School - Poster
Location: virtual
Chair: Xiaodong Zou
Chair: Louisa Meshi
Chair: Lukáš Palatinus
 

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

Romy Poppe, Daphne Vandemeulebroucke, Reinhard B. Neder, Joke Hadermann



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

Marta Kulik, Michał Leszek Chodkiewicz, Paulina Maria Dominiak



Spinel ferrite nanoparticles in core shell architecture for heat release

Marco Sanna Angotzi



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

Kunal Kumar Jha, Barbara Gruza, Michał Leszek Chodkiewicz, Christian Jelsch, Paulina Maria Dominiak



Crystal structure of Zeolite A solved by Precession Electron Diffraction Tomography

Juan Ignacio Tirado Castaño, Jose Luis Jorda, Partha Pratim Das



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

Daphne Vandemeulebroucke, Maria Batuk, Joke Hadermann



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

Viktor E. G. Bengtsson, José Miguel de la Rosa-Trevin, Laura Pacoste, Gerhard Hofer, Hongyi Xu, Xiaodong Zou



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

Barbara Gruza, Christian Jelsch, Paulina Dominiak



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



Utilizing Scipion-ED for 3DED data processing

Laura C. Pacoste, Viktor E.G. Bengtsson, José Miguel de la Rosa-Trevín, Gerhard Hofer, Hongyi Xu, Xiaodong Zou



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

YAN LI



Prospects for improved quantitative electron diffraction.

Richard Beanland



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

Urszula Anna Budniak, Paulina Maria Dominiak



Polymorphism within molecular systems revelaed by 3D electron diffraction.

Edward Thomas Broadhurst



Unraveling unforeseen disorders in silicates with 3D electron diffraction

Jungyoun Cho, Xiaodong Zou, Tom Willhammar

Workshop - Data2: When should small molecule crystallographers publish raw diffraction data?
Location: virtual
Chair: Amy Sarjeant
Chair: Simon John Coles
Date: Friday, 13/Aug/2021
8:30am
-
4:30pm
Workshop - Olex: Olex2 workshop
Location: virtual
Chair: Horst Puschmann
9:00am
-
5:00pm
School - Electron 3: Electron Crystallography School
Location: virtual
Chair: Xiaodong Zou
Chair: Louisa Meshi
Chair: Lukáš Palatinus
Workshop - ICDD: ICDD workshop
Location: virtual
Chair: Thomas Nelson Blanton
Chair: Jose Miguel Delgado

Virtual workshop 

Date: Saturday, 14/Aug/2021
9:00am
-
1:00pm
Workshop - APEX: APEX4 Workshop (Bruker)
Location: virtual

Website - virtual

9:00am
-
3:00pm
Workshop - MX: MX Raw image data and metadata, formats and validation
Location: virtual
Date: Sunday, 15/Aug/2021
5:10pm
-
6:10pm
Workshop - High Score: Easy automation and more accurate analysis with High Score Plus (V4)
Location: virtual

Website - virtual

Date: Thursday, 19/Aug/2021
1:00pm
-
2:30pm
ECA - SIG-3: ECA - SIG-3 Aperiodic Crystals
Location: virtual
2:00pm
-
2:45pm
ECA - GIG-3: ECA - GIG-3 Education in Crystallography
Location: virtual
Date: Friday, 20/Aug/2021
1:00pm
-
2:30pm
ECA - SIG-13: ECA - SIG-13 Molecular Structure and Chemical Properties
Location: virtual
ECA - SIG-9: ECA - SIG-9 Crystallographic Computing
Location: virtual
1:45pm
-
2:45pm
ECA - SIG-7: ECA - SIG-7 Molecular Interaction and Recognition
Location: virtual
Date: Wednesday, 25/Aug/2021
2:00pm
-
6:00pm
Workshop - Resolution matters: Resolution Matters:- Discover the pathway from a high resolution 2D scan to the best phase analysis (Panalytical)
Location: virtual

Join us on 25th August 2pm with Alejandro Rodríguez Navarro

Register Here: www.malvernpanalytical.com/IUCr2021

 

Date: Wednesday, 01/Sept/2021
2:00pm
-
8:00pm
School - Computing: Crystallographic Computing School
Location: virtual
Chair: Martin Lutz
Chair: Claudia Millán

The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data.

School - ePDF: School on electron PDF (pair-distribution function)
Location: virtual
Chair: Tatiana Gorelik

virtual meeting

Date: Thursday, 02/Sept/2021
2:00pm
-
8:00pm
School - Computing 2: Crystallographic Computing School
Location: virtual
Chair: Martin Lutz
Chair: Claudia Millán

The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data.

Date: Friday, 03/Sept/2021
2:00pm
-
8:00pm
School - Computing 3: Crystallographic Computing School
Location: virtual
Chair: Martin Lutz
Chair: Claudia Millán

The Computing School will cover aspects that are relevant to all fields of crystallographic computing. As the main topic we will focus on the determination and the use of eigenvectors and eigenvalues and their applications in the different fields of crystallography. Applications range from the well known principal component analysis and other statistical and machine learning techniques to modelling using Markov processes, or optimization of functions. Fields such as image processing, information theory, and crystallography make use of these in many of its most fundamental methods. It impacts directly macromolecular crystallography in both phasing and refinement aspects. In small molecule crystallography and materials science research, it allows the understanding of very fundamental physical properties of matter. In this school, our aim is to learn and teach about this general topic from the computing aspect of the fundamentals, but also the computing tools and the data.


 
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