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, 12:47:58am CET

 
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Session Overview
Date: Wednesday, 11/Aug/2021
9:00am - 6:30pmSchool - Electron: Electron Crystallography School
Location: virtual

Website - virtual

9:00am - 6:30pmWorkshop - Data: When should small molecule crystallographers publish raw diffraction data?
Location: virtual

Website - virtual

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
9:00am - 4:00pmWorkshop CCDC/FIZ: CSD and ICSD workshop
Location: virtual
9:00am - 6:30pmSchool - Electron 2: Electron Crystallography School
Location: virtual
9:00am - 6:30pmSEC - Posters: Electron Crystallography School - Poster
Location: virtual
9:00am - 6:30pmWorkshop - Data2: When should small molecule crystallographers publish raw diffraction data?
Location: virtual
Date: Friday, 13/Aug/2021
8:30am - 4:30pmSchool - Aperiodic 2: Workshop on Aperiodic and Magnetic Structure for Beginners
Location: Institute of Physics, Czech Academy of Sciences
8:30am - 4:30pmWorkshop - Olex: Olex2 workshop
Location: virtual
9:00am - 5:00pmSchool - Electron 3: Electron Crystallography School
Location: virtual
9:00am - 5:00pmWorkshop - ICDD: ICDD workshop
Location: virtual

Virtual workshop 

12:30pm - 5:00pmWorkshop - MSB: Methods of Structural Biology
Location: Biocev
Date: Saturday, 14/Aug/2021
9:00am - 1:00pmWorkshop - APEX: APEX4 Workshop (Bruker)
Location: virtual

Website - virtual

9:00am - 3:00pmWorkshop - MX: MX Raw image data and metadata, formats and validation
Location: virtual
9:00am - 4:30pmWorkshop - WDQA: Data quality assesment
Location: 221-2
2:00pm - 5:00pmSchool - Electron 4: Electron Crystallography School
Location: Club H
5:30pm - 6:30pmOpening: Opening ceremony
6:30pm - 7:00pmOpening music: Music

Ensemble Website

7:00pm - 7:50pmEwald: Ewald prize lecture

Olga Kennard

8:00pm - 10:00pmWelcome: Welcome drink and refreshment
Location: Exhibition and poster area
Date: Sunday, 15/Aug/2021
9:00am - 9:50amKN-1: Quantum Crystallography: Past, Present, and Future
Location: Terrace 2A

Dylan Jayatilaka

9:00am - 9:50amKN-2: The symbiosis of cryo-EM and X-ray crystallography in structure determination of large macromolecular systems
Location: Terrace 2B

Holger Stark

9:00am - 9:50amKN-3: High Pressure Crystallography Unlimited
Location: Club A

 Leonid Dubrovinsky

9:50am - 10:20amMorning break 1: Exhibition, posters, coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-1: Structural bioinformatics
Location: Club B

Invited:  Zhichao Miao (UK)

10:20am - 12:45pmMS-2: Validation of cryoEM structures and maps
Location: Club A

Invited: Florence Tama (Japan), Pavel Afonine (USA), G. Kleywegt (Germany)

10:20am - 12:45pmMS-3: Crystallographic approaches for designing new framework materials (including post-synthetic modification)
Location: 223-4
10:20am - 12:45pmMS-4: Quantum crystallography challenges and newest accomplishments
Location: Club C

Invited: Alessandro Genoni (France), Nicolas Claiser (France)

10:20am - 12:45pmMS-5a: Crystal structure prediction
Location: Terrace 2A

Invited: Ivan Kruglov (Russia), Graeme Day (UK)

10:20am - 12:45pmMS-6: Application of electron crystallography to functional materials
Location: Terrace 2B

Invited: Mauro Gemmi (Italy), Maria Roslova (Germany)

10:20am - 12:45pmMS-7: High troughput vs. careful planning: How to get the best data?
Location: Club H

Invited: Danny Axford (UK), Aina Cohen (USA)

10:20am - 12:45pmMS-8: Social media and new frontiers for spreading crystallographic
Location: Club D

Invited: Delphine Chenevier (France), Rhiannon Morris (Australia)

10:20am - 12:45pmSMS-1: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis
Location: 221-2
12:45pm - 2:45pmECA-0: ECA EC meeting

ECA EC meeting

12:45pm - 2:45pmLunch 1: Exhibition, posters, lunches
Location: Exhibition and poster area
1:30pm - 2:30pmCS-1: Commercial session: Bruker / Incoatec
Location: Terrace 2A

60 min company presentation

2:45pm - 3:45pmMS-5b: Crystal structure prediction
Location: 223-4
2:45pm - 5:10pmMS-09: Structure guided drug design and antibiotic resistance targets
Location: Club A

Invited: Vibha Gupta (India), Jade Forwood (Australia)

2:45pm - 5:10pmMS-10: Structural biology of eukaryotic immune systems
Location: Club B

Invited: Tsan Sam Xiao (USA), Raul Olivier Martin (USA), Wen Song (Germany)

2:45pm - 5:10pmMS-11: Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applications
Location: Club D

Invited: Kenneth Harris (UK), Jim Kaduk (USA)

2:45pm - 5:10pmMS-12: Quantum crystallographic studies on intra/inter-molecular interactions
Location: Club H

Invited: Jacob Overgaard (Denmark), Benoit Guillot (France)

2:45pm - 5:10pmMS-13: Porous framework materials for gas adsorption/separation
Location: Club C

Invited:  Michael  Zaworotko (Ireland) , Catharine Esterhuysen (South Africa)

2:45pm - 5:10pmMS-14: Perovskites
Location: Terrace 2B

Invited: James Rondinelli (USA), Joke Hadermann (Belgium)

2:45pm - 5:10pmMS-16: Pre and post publication peer review of crystallographic data
Location: Terrace 2A

Invited: Stephen K. Burley (USA)Brian McMahon (UK)

2:55pm - 5:55pmSF-1: Software Fayre 1
Location: 221-2
3:45pm - 5:15pmMS-15: Integrative methodologies for novel thin film structures
Location: 223-4

Invited: Jolien Dendooven (Belgium), Byeongdu Lee (USA)

5:10pm - 6:10pmAfternoon break 1: Poster session A1, exhibition, coffee/tea
Location: Exhibition and poster area
5:10pm - 6:10pmPoster - 01 Bioinformatics: Structural bioinformatics

 

5:10pm - 6:10pmPoster - 02 Drug design: Drug design

 

5:10pm - 6:10pmPoster - 03 Structure prediction: Crystal structure prediction

 

5:10pm - 6:10pmPoster - 04 Photochemistry: Solid state photo chemistry

 

5:10pm - 6:10pmPoster - 05 MOF: Metal-organic frameworks

 

5:10pm - 6:10pmPoster - 06 Perovskites: Perovskites

 

5:10pm - 6:10pmPoster - 07 Powder: Powder diffraction - general, structure refinement

 

5:10pm - 6:10pmPoster - 08 General: General interest

 

5:10pm - 6:10pmWorkshop - High Score: Easy automation and more accurate analysis with High Score Plus (V4)
Location: virtual

Website - virtual

6:10pm - 7:00pmKN-4: Crystal forms in pharmaceutical applications
Location: Terrace 2B

Susan Reutzel-Edens

6:10pm - 7:00pmKN-5: State of the art understanding of diffraction from aperiodic crystals
Location: Terrace 2A

Uwe Grimm

6:10pm - 7:00pmKN-6: The Coronavirus Structural Task Force
Location: Club A

Andrea Thorn

7:15pm - 10:15pmIUCr: IUCr assembly
Location: Club H

IUCr assembly 1

Date: Monday, 16/Aug/2021
9:00am - 9:50amKN-7: Electron crystallography of molecular crystals
Location: Terrace 2A

Lukáš Palatinus

9:00am - 9:50amKN-8: Order and disorder in metal-ion battery materials
Location: Terrace 2B

 Artem Abakumov

9:00am - 9:50amKN-9: Crystalline sponge, metal-organic assembles
Location: Club A

Makoto Fujita

9:50am - 10:20amMorning break 2: Exhibition, posters, coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-17: Automation in bio-crystallography: tools, perspectives and applications
Location: Club A

Invited: Katherine McAuley (UK)Jose Marquez (France)

10:20am - 12:45pmMS-18a: Phase transitions in complex materials (structure and magnetism) I
Location: Terrace 2B

Invited: Midori Amano Patino (Japan), Patrick Woodward (USA)

10:20am - 12:45pmMS-19: Crystal structures of pharmaceutical and organic compounds from electron diffraction
Location: Terrace 2A

Invited: Enrico Mugnaioli (Italy)Brent Nannega (USA)

10:20am - 12:45pmMS-20: Dynamic frameworks
Location: Club C

Invited: Hoi Ri Moon (Republic of Korea), Yao Chen (China)

10:20am - 12:45pmMS-21: Structure, modeling and properties of quasicrystals
Location: Club B

Invited: Tsunemoto Yamada (Japan), Priya Subramanian (UK)

10:20am - 12:45pmMS-22: Methods and software developments for magnetic-structure analysis
Location: 223-4

Invited: Juan Rodriguez-Carvajal (Spain), Václav Petříček (Czech Republic)

10:20am - 12:45pmMS-23: Ptychography: present and near future
Location: Club D

Invited: Chris Jacobsen (USA), Julian Reinhardt (USA)

10:20am - 12:45pmMS-24: Data-driven discovery in crystallography
Location: Club H

Invited: Wenhao Sun (USA), Aria Mansouri Tehrani (Switzerland)

10:20am - 12:45pmSF-2: Software Fayre 2
Location: 221-2
12:45pm - 2:45pmLunch 2: Exhibition, posters, lunches
Location: Exhibition and poster area
12:45pm - 2:45pmMeeting ECA1: ECA Council Meeting
Location: Club H

ECA council meeting 1

1:30pm - 2:00pmCS-2: Commercial session: Xenocs
Location: Terrace 2A

30 min company presentation

2:00pm - 2:30pmCS-3: Why Spot-Cap® is the best option for protein purification (Chromotek)
Location: Terrace 2A

30 min company presentation

2:45pm - 5:10pmMS-25: Structural biology against coronavirus/covid-1
Location: Club A

Invited: Xuhui Huang (China)

2:45pm - 5:10pmMS-26: Solution scattering and combined techniques for biological systems, including component dynamics
Location: Club B

Invited: Mitsunori Ikeguchi (Japan), Anne Martel (France)

2:45pm - 5:10pmMS-27: New trends in pharmaceutical materials
Location: Club D

Invited: Tonglei Li (USA), Doris Braun (Austria)

2:45pm - 5:10pmMS-28: Theory and practice of supramolecular synthons in crystal engineering
Location: Club C

Invited: Jindrich Fanfrlik (Czech Republic), Berta Gomez-Lor (Spain)

2:45pm - 5:10pmMS-29: Texture, strain and structure in metals and ceramics
Location: 223-4

Ivnited: Efthymios Polatidis (Switzerland), Jana Šmilauerová (Czech Republic)

2:45pm - 5:10pmMS-30: Magnetic structures of novel and functional materials
Location: Club H

Invited: Wei Tian (USA)Jonathan White (Switzerland)

2:45pm - 5:10pmMS-31: Recent advances in instrumentation
Location: Terrace 2B

Invited: Wenbing Yun (USA), Andrew Thomson (France)

2:45pm - 5:10pmMS-32: Recent advances in electron crystallography techniques
Location: Terrace 2A

Invited: Hongyj Xu (Sweden), Emanuela Liberti (UK)

2:45pm - 5:10pmSMS-2: Exemplary practice in chemical, biological and materials database archiving
Location: 221-2

Invited: Ian Bruno (UK), Stephen Burley (USA)

5:10pm - 6:10pmAfternoon break 2: Poster session A2, exhibition, coffee/tea
Location: Exhibition and poster area
5:10pm - 6:10pmPoster - 09 Automation in bio: Automation in biocrystallography

 

5:10pm - 6:10pmPoster - 10: Solution scattering

 

5:10pm - 6:10pmPoster - 11 Viruses: Structural biology of viruses

 

5:10pm - 6:10pmPoster - 12 Supramolecular: Theory and practice of supramolecular synthons in crystal engineering

 

5:10pm - 6:10pmPoster - 13 Data: Crystallographic data

 

5:10pm - 6:10pmPoster - 14 Instrumentation: Advances in instrumentation

 

5:10pm - 6:10pmPoster - 15 Films: Crystallographic analysis of thin films and surfaces

 

5:10pm - 6:10pmPoster - 16 Texture, defects: Texture, strain, stress, real structure

 

6:10pm - 7:00pmKN-10: Gjonnes medal lecture
Location: Terrace 2A

Ute Kolb, Sven Hovmöller

6:10pm - 7:00pmKN-11: Dithiadiazolyl radicals as building blocks for molecular magnetic materials
Location: Terrace 2B

Delia Haynes

6:10pm - 7:00pmKN-12: Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria
Location: Club A

Natalie Strynadka

7:15pm - 10:15pmIUCr-2: IUCr assembly
Location: Club H

IUCr assembly 2

Date: Tuesday, 17/Aug/2021
9:00am - 9:50amKN-13: Structural flexibility and disorder in functional materials
Location: Terrace 2A

Andrew Goodwin

9:00am - 9:50amKN-14: Quantum crystallography and spintronic materials
Location: Terrace 2B

Piero Macchi

9:00am - 9:50amKN-15: Time resolved macromolecular crystallography
Location: Club A

Arwen R Pearson

9:50am - 10:20amMorning break 3: Exhibition, posters, coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-33: CryoEM for macromolecules - from single particles to microcrystals
Location: Club A

Invited:  Nenad Ban (Switzerland), Dimple Karia (Netherlands)

10:20am - 12:45pmMS-34a: Structural biology of enzymes, mechanism and regulation
Location: Club B

Invited: Liang Wu (UK), Orsolya Barabas (Germany)

10:20am - 12:45pmMS-35: Polymorphism and structural transformation of organic crystals from synthesis to characterization
Location: Club D

Invited: David Bryce (Canada), Franziska Emmerling (Germany)

10:20am - 12:45pmMS-36: Generalizations of crystallographic groups and their applications
Location: 221-2

Invited:  Pavel Kalouguine (France), Martin Cramer Pedersen (Denmark)

10:20am - 12:45pmMS-37: Total scattering
Location: Terrace 2A

Invited: Stephan Rosenkranz (USA)Bo Brummerstedt Iversen (Denmark)

10:20am - 12:45pmMS-38: Structural, electronic and magnetic ordering: From fundamental physics to functionality
Location: Club C

Invited: Christian Balz (USA), Mark Senn (UK)

10:20am - 12:45pmMS-39: Quantum crystallography in materials science
Location: Terrace 2B

Invited: Rebecca Scatena (UK), Cherif Matta (Canada)

10:20am - 12:45pmMS-40: New applications of coherent scattering
Location: 223-4

Invited: Johanned Ihli (Switzerland), Foivos Perakis (Sweden)

10:20am - 12:45pmSMS-3: Online crystallography: Tools, apps and web services
Location: Club H

Invited: Mois Ilia Aroyo (Spain), Victor Lamzin (Germany)

12:45pm - 2:45pmECA-ECM: ECM programme committees
Location: Club H

ECM programme committee meetings -Versaille,Padova

12:45pm - 2:45pmLunch 3: Exhibition, posters, lunches
Location: Exhibition and poster area
1:00pm - 2:00pmMeeting 3 - Journals: Commission on Journals open meeting
Location: Club A
1:30pm - 2:00pmCS-4: Commercial session - MiTeGen: Innovations in Crystallography and CryoEM
Location: Terrace 2A

30 min company presentation

2:50pm - 3:40pmPL-1: How data have revealed the structural universe
Location: Panorama

Helen Berman

3:45pm - 4:40pmBragg: W.H. and W.L. Bragg Prize
Location: Panorama
4:40pm - 5:40pmAfternoon break 3: Poster session B1, exhibition, coffee/tea
Location: Exhibition and poster area
4:40pm - 5:40pmPoster - 17 Biocrystallography: Macromolecular and biological crystallography

 

4:40pm - 5:40pmPoster - 18 CryoEM: Cryo-EM

 

4:40pm - 5:40pmPoster - 19 Pharmaceutical: Pharmaceutical materials

 Comment

4:40pm - 5:40pmPoster - 20 Polymorphism: Polymorphism

 

4:40pm - 5:40pmPoster - 21 Quantum: Quantum crystallography

 

4:40pm - 5:40pmPoster - 22 Ptychography: Ptychography, imaging, coherent scattering

 

6:30pm - 7:15pmRefreshment: Refreshment
Location: Exhibition and poster area
7:15pm - 8:45pmCultural programme: Concert - Dvorak ensemble

Ensemble Website  

Date: Wednesday, 18/Aug/2021
9:00am - 9:50amKN-16: MicroED: conception, practice and future opportunities
Location: Terrace 2A

Tamir Gonen

9:00am - 9:50amKN-17: In-situ and In-operando diffraction Studies of Li Ion Battery Electrodes
Location: Terrace 2B

Gwenaelle Rousse

9:00am - 9:50amKN-18: Electron density, and its interplay with the energy and properties of molecules and solids
Location: Club A

Julia Contreras-Garcia

9:50am - 10:20amMorning break 4: Exhibition, posters, coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-41: Macromolecular machines and hybrid methods to crystallography
Location: Club B

Invited: Kristina Djinovic-Carugo (Austria), Tanmay Bharat (India)

10:20am - 12:45pmMS-42: Novel techniques and insights into in vitro and in situ crystallisation for X-ray and electron diffraction.
Location: Club A

Invited: Haruki Hasegawa (USA), Alexandra Ros (USA)

10:20am - 12:45pmMS-43: Solid state reactions and dynamics
Location: Terrace 2B

Invited: Hiroyoshi Ohtsu (Japan), Paolo Pio Mazzeo (Italy)

10:20am - 12:45pmMS-44: Beyond pure point diffraction: Theory and application of diffuse scattering
Location: Club H

Invited: Chrizaldi Neil Manibo (Germany),  Ella Mara Schmidt (Germany)

10:20am - 12:45pmMS-45: Frustrated magnetic order and emerging science
Location: Club C

Invited: Beauvois Ketty (France), Nicolas Gauthier (USA)

10:20am - 12:45pmMS-46: In-situ and in operando studies of battery materials
Location: Club D

Invited: Karena Chapman (USA), Sandrine Lyonnard (France)

10:20am - 12:45pmMS-47a: Nanocrystalline materials I
Location: 223-4

Invited: Junliang Sun (China), Ulf Olsson (Sweden)

10:20am - 12:45pmMS-48: Combination of X-rays and electrons for structure characterization
Location: Terrace 2A

Invited: Stef Smeets (Netherlands), Tatiana Gorelik (Germany)

10:20am - 12:45pmSF-3: Software Fayre 3
Location: 221-2
12:45pm - 2:45pmLunch 4: Exhibition, posters, lunches
Location: Exhibition and poster area
12:45pm - 2:45pmMeeting ECA2: ECA Council Meeting
Location: Club H

ECA council meeting 2

1:00pm - 2:00pmWorkshop - Journals: Journal Author Workshop. From data to publication
Location: Club A

Panelists: Elspeth Garman (Acta D); Chiara Massera (Acta E); Andrew Allen (Editor-in-Chief)

Managing editors and IUCr staff: Louise Jones (Acta D); Michele Zema (Executive Outreach Officer)

2:45pm - 5:10pmMS-49: Protein design and engineering
Location: Club A

Invited: Elizabeth M.J. Gillam (Australia), Mauri Kostiainen (Finland)

2:45pm - 5:10pmMS-51: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Location: Club B

Invited: Ivan Němec (Czech Republic), Lorraine Andrade Malaspina (France)

2:45pm - 5:10pmMS-52: Combining X-ray diffraction and spectroscopy to characterise materials
Location: Terrace 2A

Invited: Ilaria Carlomagno (Italy), Marco Giorgetti (Italy)

2:45pm - 5:10pmMS-53: Function and application of porous crystals
Location: Club C
2:45pm - 5:10pmMS-54: Materials for energy conversion and storage
Location: Terrace 2B

Invited: Yaroslav Filinchuk (Belgium), Kent Griffith (USA)

2:45pm - 5:10pmMS-55(47b): Nanocrystalline materials II
Location: 223-4
2:45pm - 5:10pmMS-56: Analysis of the fine structure in electron diffraction data
Location: Club H

Invited: Paul Voyles (USA), Cheuk-Wai Tai (Sweden)

2:45pm - 5:10pmSMS-4: Using crystallography for education during the pandemic
Location: Club D

Invited: Karsten Theis (USA)

2:55pm - 5:55pmSF-4: Software Fayre 4
Location: 221-2
5:10pm - 6:10pmAfternoon break 4: Poster session B2, exhibition, coffee/tea
Location: Exhibition and poster area
5:10pm - 6:10pmPoster - 23 Protein design: Protein design and engineering

 

5:10pm - 6:10pmPoster - 24 Crystallization: Crystallization

 

5:10pm - 6:10pmPoster - 25 Electron: Electron crystallography

 

5:10pm - 6:10pmPoster - 26 Spectroscopy: Combining X-Ray Diffraction and Spectroscopy to Characterise Materials
5:10pm - 6:10pmPoster - 27 Magnetism: Magnetic structures, magnetic materials

 

5:10pm - 6:10pmPoster - 28 Porous: Porous materials

 

5:10pm - 6:10pmPoster - 29 Solid state: Solid state reactions and dynamics

 

5:10pm - 6:10pmPoster - 30 Nano: Nanomaterials

 

5:10pm - 6:10pmPoster - 31 Total: Total scattering

 

5:10pm - 6:10pmPoster - 32 Theory: Theoretical crystallography

 

6:10pm - 7:00pmKN-19: X-ray absorption spectroscopy and materials science: recent advances
Location: Terrace 2A

Federico Boscherini

6:10pm - 7:00pmKN-20: The benefits of Scanning Precession Electron Diffraction to access to the crystallographic phases and orientations of nanomaterials
Location: Terrace 2B

Edgar Rauch

6:10pm - 7:00pmKN-21: How limitless antibodies are generated by V(D)J recombination
Location: Club A

Wei Yang

8:00pm - 10:00pmBoat trip: Boat trip with raut

Extra fee

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Date: Thursday, 19/Aug/2021
9:00am - 9:50amKN-22: Record High superconductivity in sodalite-like rare-earth hydrides stabilized at high pressures
Location: Terrace 2A

Yanming Ma

9:00am - 9:50amKN-23: Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging
Location: Terrace 2B

Virginie Chamard

9:00am - 9:50amKN-24: Regulation of gene expression by transcription factors and RNA-binding proteins
Location: Club A

 Udo Heinemann

9:50am - 10:20amMorning break 5: Posters, coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-57: Neutron scattering - sources, applications
Location: Terrace 2B

Invited: Gloria Borgstahl (USA), Svetlana Antonyuk (UK)

10:20am - 12:45pmMS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography
Location: Club A

Invited: Paulina Dominiak (Poland), Maciej Kubicki (Poland)

10:20am - 12:45pmMS-59: Crystal chemistry with emerging technology I
Location: Terrace 2A

Invited: Sota Sato (Japan), Marijana Dakovic (Croatia)

10:20am - 12:45pmMS-60: Composite and incommensurate modulated crystals: structural and physical properties
Location: Club B

Invited: Stephan J. Skinner (UK)Vincent Jacques (France)

10:20am - 12:45pmMS-61: Magnetic structures at extreme conditions and in extreme samples
Location: Club D

Invited: Elena Solana-Madruga (UK) Dawid Pinkowicz (Poland)

10:20am - 12:45pmMS-62: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials
Location: Club C

Invited: Boaz Pokroy (Israel), Abel Moreno (Mexiko)

10:20am - 12:45pmMS-63: Catalysis: functionalized materials studied by XRD and XAFS
Location: 223-4

Invited: Elisa Borfecchia (Italy), Ola F Wendt  (Sweden)

10:20am - 12:45pmMS-64: In-situ and time resolved electron crystallography
Location: Club H

Invited: David Flannigan (USA), Maria Batuk (Belgium)

12:45pm - 2:45pmLunch 5: Posters, lunches
Location: Exhibition and poster area
1:00pm - 2:30pmECA - GIG-1: ECA - GIG-1 Young Crystallographers
Location: Club A
1:00pm - 2:30pmECA - SIG-12: ECA - SIG-12 Crystallography of Functional Materials
Location: 223-4
1:00pm - 2:30pmECA - SIG-1: ECA - SIG-1 Macromolecular Crystallography
Location: Club D
1:00pm - 2:30pmECA - SIG-3: ECA - SIG-3 Aperiodic Crystals
Location: virtual
1:00pm - 2:30pmECA - SIG-5: ECA - SIG-5 Mineral and Inorganic Crystallography
Location: Club B

SIG - 5

1:00pm - 2:30pmECA - SIG-6: ECA - SIG-6 Instrumentation and Experiment
Location: Club C
1:00pm - 2:30pmMeeting - Quantum: Commission on Quantum Crystallography Open Meeting
Location: Club H
1:45pm - 2:45pmECA - SIG-4: ECA - SIG-4 Electron Crystallography
Location: 221-2
2:00pm - 2:45pmECA - GIG-3: ECA - GIG-3 Education in Crystallography
Location: virtual
2:45pm - 5:10pmMS-65: Graphs, tilings and crystal structures
Location: Club D

Invited: Vladislav A. Blatov (Russia), Jean-Guillaume Eon (Brazil)

2:45pm - 5:10pmMS-66: Integrative structural biology: The next 50 years of the Protein Data Bank
Location: Club H

Invited: Andrej Sali (USA),  Fei Xu (China)

2:45pm - 5:10pmMS-67: Crystallization mechanisms of small molecule systems
Location: Terrace 2B

Invited: Ian Rosbottom (UK)Aurora Cruz-Cabeza (UK)

2:45pm - 5:10pmMS-68: Symmetry aspects of magnetic order and magnetic properties
Location: Club B

Invited:  Laura Chaix (France), Fabio Orlandi (UK)

2:45pm - 5:10pmMS-69a: Complex crystal structures - chemical crystallography
Location: Club A
2:45pm - 5:10pmMS-70: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction
Location: Club C

Invited: Virginia Monteseguro (Spain, ESRF)Emma McBride (USA, SLAC)

2:45pm - 5:10pmMS-71a: Disordered materials: spectroscopic and scattering techniques I
Location: Terrace 2A

Invited: Takeshi Egami (USA), Shinya Hosokawa (Japan)

2:45pm - 5:10pmMS-72: New methods and strategies in NMR crystallography - in Honour of Francis Taulelle
Location: 223-4

Invited: Sharon Ashbrook (UK), Lyndon Emsley (Switzerland)

2:55pm - 5:55pmSF-5: Software Fayre 5
Location: 221-2
5:10pm - 6:10pmAfternoon break 5: Poster session C1, coffee/tea
Location: Exhibition and poster area
5:10pm - 6:10pmPoster - 33 Chemical: Chemical crystallography

 

5:10pm - 6:10pmPoster - 34 Catalysis: Catalysis

 

5:10pm - 6:10pmPoster - 35 Modulated: Composite and Incommensurate Modulated Crystals

 

5:10pm - 6:10pmPoster - 36 Disordered: Disordered materials

 

5:10pm - 6:10pmPoster - 37 Biomineralization: Biomineralization, advanced biomimetic materials

 

5:10pm - 6:10pmPoster - 38 Energy: Materials for energy conversion and storage

 

5:10pm - 6:10pmPoster - 39 Neutrons: Neutron scattering

 

5:10pm - 6:10pmPoster - 40 NMR: NMR crystallography

 

6:10pm - 7:00pmKN-25: A Crystallographic Snapshot of SARS-CoV-2 Main Protease Maturation Process and the Discovery of Inhibitors
Location: Club A

Glaucius Oliva

6:10pm - 7:00pmKN-26: Complexity in crystals and minerals
Location: Terrace 2A

Sergey Krivovichev

6:10pm - 7:00pmKN-27: The crystal and the rose: On the impact of crystals and crystallography in art and mind
Location: Terrace 2B

Juan Manuel García-Ruiz

7:10pm - 7:50pmPL-2: In situ and ex situ studies of battery materials with magnetic resonance and diffraction methods
Location: Terrace 2A

Clare Grey 

7:50pm - 10:15pmIUCr-3: IUCr assembly
Location: Club H

IUCr assembly 3

Date: Friday, 20/Aug/2021
9:00am - 9:50amKN-28: 4th generation SR and XFEL facilities: new era in crystallography and material science
Location: Terrace 2A

Aleksandr Blagov

9:00am - 9:50amKN-29: Crystal engineering of adaptive smart materials: from mechanical bending to self-healing
Location: Terrace 2B

Malla Reddy

9:00am - 9:50amKN-30: Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis
Location: Club A

Arockiasamy Arulandu

9:50am - 10:20amMorning break 6: Posters, coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-73: Machine learning in biological and structural sciences
Location: Terrace 2B

Invited: Melanie Vollmar (UK), Sergei Grudinin (France)

10:20am - 12:45pmMS-74: Structural biology of receptors, signaling and membrane proteins
Location: Club A

Invited:  Robert Keenan (USA), Isabel Moraes (UK)

10:20am - 12:45pmMS-75: Small- and Wide-Angle Scattering for industrial materials far from equilibrium
Location: Club D

Invited: Masato Ohnuma (Japan), Elliot Paul Gilbert (Australia)

10:20am - 12:45pmMS-76(59b): Crystal chemistry with emerging technology II
Location: Club C
10:20am - 12:45pmMS-77(71b): Disordered materials: spectroscopic and scattering techniques II
Location: 223-4

Invited: Lars G.  M. Pettersson (Sweden), Maxwell Terban (Germany)

10:20am - 12:45pmMS-78: Science meets art: X-ray spectrometry and X-ray diffraction in art and archaeology
Location: Club H

 Invited: Katrien Keune (Netherlands), Christoph Berthold (Germany)

10:20am - 12:45pmMS-79(69b): Complex structures of minerals and inorganic materials
Location: Club B
10:20am - 12:45pmMS-80: 4th generation SR and XFEL Facilities
Location: Terrace 2A

Invited: Jean Susini (France)

12:45pm - 2:45pmLunch 6: Posters, lunches
Location: Exhibition and poster area
1:00pm - 2:30pmECA - SIG-11: ECA - SIG-11 Crystallography under Extreme Conditions
Location: Club A
1:00pm - 2:30pmECA - SIG-13: ECA - SIG-13 Molecular Structure and Chemical Properties
Location: virtual
1:00pm - 2:30pmECA - SIG-14: ECA - SIG-14 Dynamics, Disorder, Diffuse Scattering
Location: Club D
1:00pm - 2:30pmECA - SIG-2: ECA - SIG-2 Quantum Crystallography
Location: Club H
1:00pm - 2:30pmECA - SIG-9: ECA - SIG-9 Crystallographic Computing
Location: virtual
1:00pm - 2:30pmECA-1: ECA EC meeting 2
Location: Club C

ECA EC meeting

1:45pm - 2:45pmECA - SIG-7: ECA - SIG-7 Molecular Interaction and Recognition
Location: virtual
2:45pm - 3:50pmSMS-6: Spectroscopy applied to electrochemistry: operando studies
Location: Club C

Invited: Moniek Tromp (The Netherlands), Mahalingam Balasubramanian (USA)

2:45pm - 5:10pmMS-81: Nucleic acids and binding proteins structure and function
Location: Club A

Invited: Millie Georgiadis (USA), Liliya Yatsunyk (USA)

2:45pm - 5:10pmMS-82: Handling of big data in crystallography
Location: 223-4
2:45pm - 5:10pmMS-83: High pressure crystallography
Location: Terrace 2A

Merged sessions
Invited: June Wicks (USA)Rachel Husband (Germany)

2:45pm - 5:10pmMS-85: Science meets art: Crystallography and cultural heritage
Location: Club H

Invited: Koen Janssens (Belgium), Sebastian Bette (Germany)

2:45pm - 5:10pmMS-86: Modular structure of inorganic and mineral compounds
Location: Club D

Invited: Olivier Perez (France), Marie Colmont (France)

2:45pm - 5:10pmMS-87: Topological materials
Location: Terrace 2B

Invited: Tomasz Dietl (Poland)Xiang Li (China)

2:45pm - 5:10pmMS-88: Quantum crystallography research
Location: Club B

Invited: Sophie E. Canton (Hungary), Simon Grabowsky (Switzerland)

 

2:55pm - 5:55pmSF-6: Software Fayre 6
Location: 221-2
3:55pm - 5:25pmSMS-5: Advances in data and model validation in biomolecular Small-Angle Scattering: Impacts on data and meta-data recording and data archiving
Location: Club C

Invited: Dina Schneidman (Israel)Thomas Grant (USA)

5:10pm - 6:10pmAfternoon break 6: Poster session C2, coffee/tea
Location: Exhibition and poster area
5:10pm - 6:10pmPoster - 41 Receptors: Structural biology of receptors, membrane proteins

 

5:10pm - 6:10pmPoster - 42 Enzymes: Structural biology of enzymes

 

5:10pm - 6:10pmPoster - 43 Nucleic acid: Nucleic acids and binding proteins structure and function

 

5:10pm - 6:10pmPoster - 44 Art: Crystallography in art and archaeology

 

5:10pm - 6:10pmPoster - 45 Minerals: Complex structures of minerals and inorganic materials

 

5:10pm - 6:10pmPoster - 46 SAXS: SAXS, SANS

 

5:10pm - 6:10pmPoster - 47 Synchrotron and XFEL: Synchrotron and XFEL facilities

 

6:10pm - 7:00pmKN-31: The contribution of crystallography to new vaccine formulations
Location: Terrace 2A

Marcia Fantini

6:10pm - 7:00pmKN-32: Crystallography and cultural heritage - On beauty, science and passion
Location: Terrace 2B

Gilberto Artioli

6:10pm - 7:00pmKN-33: Overview of Global Neutron Sources, Instruments and Initiatives
Location: Club A

Ken Andersen

8:00pm - 11:55pmDinner: Conference dinner
Location: National House

extra fee

Date: Saturday, 21/Aug/2021
9:00am - 9:50amKN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels
Location: Club A

Mitsushiro Shibayama

9:00am - 9:50amKN-35: The Science of Symmetry Breaking
Location: Terrace 2A

Harold Stokes

9:00am - 9:50amKN-36: Metadata and checkCIF for raw diffraction data in realising ultimate crystallographic objectivity
Location: Terrace 2B

Loes Kroon-Batenburg

9:50am - 10:20amMorning break 7: Coffee/tea
Location: Exhibition and poster area
10:20am - 12:45pmMS-89: Fragment Screening, LCP, and Automation
Location: Club B

Invited: Martin Noble (UK), Kenton Longenecker (USA)

10:20am - 12:45pmMS-90: Structure solution and poorly crystalline materials
Location: Terrace 2A

Invited: Martin Schmidt (Germany), Katharine Page (USA)

10:20am - 12:45pmMS-91: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches
Location: Club C

Invited: Julia Kornfield (USA)Christine M. Papadakis (Germany)

10:20am - 12:45pmMS-92 (34b): Structural biology of enzymes, mechanism and regulation II
Location: Club A
10:20am - 12:45pmMS-93: Non-covalent interactions in crystal engineering I
Location: Terrace 2B

Invited: Deepak Chopra (India), Karah Knope (USA)

10:20am - 12:45pmMS-94: Organic minerals, metal-organic frameworks, and metal-oxygen clusters: the emergent interface of geochemistry and crystal engineering
Location: Club D

Invited: Helen Maynard-Casely (Australia), Ulrich Kortz (Germany)

10:20am - 12:45pmMS-95: Advanced methods for analysis of XAFS and crystallographic data
Location: 223-4

Invited: Paola D'angelo (Italy) Rocco Caliandro (Italy)

10:20am - 12:45pmMS-96: Crystallography schools to promote interdisciplinarity in science
Location: Club H

Invited: Diego German Lamas (Argentina)Marielle Yasmine  Agbahoungbata (Benin)

10:20am - 12:45pmSMS-7: Hydrogen rich compounds: design, properties & phase transitions at high pressures
Location: 221-2

Invited: Chris J. Pickard (UK), Dmitry Semenok (Russia)

12:45pm - 2:45pmLunch 7: Lunches
Location: Exhibition and poster area
2:45pm - 5:10pmMS-100: Stimuli-responsive crystalline compounds
Location: Club B

Invited: Tomce Runcevski (USA)Helena Shepherd (UK) 

2:45pm - 5:10pmMS-101 (18b): Phase transitions in complex materials (structure and magnetism) II
Location: Club A
2:45pm - 5:10pmMS-102: Crystallography using large volume presses and diamond anvil cells
Location: Terrace 2B

Invited: Natalia Dubrovinskaia (Germany), Siddharth Saxena (UK)

2:45pm - 5:10pmMS-103: XAS and crystallography allied for geomaterials and environmental problems
Location: 223-4

Invited: Giuseppe Cruciani (Italy), Georgia Cametti (Switzerland)

2:45pm - 5:10pmMS-104: Diffraction imaging, grain mapping in materials and art
Location: Terrace 2A

Invited: Ashley Bucsek (USA), Frederik Vanmeert (Belgium)

2:45pm - 5:10pmMS-97: New methods to fight the pandemic
Location: Panorama

Invited: Jasmine Young (USA), Tristan Croll (UK)

2:45pm - 5:10pmMS-98: 2D type crystals and their heterostructures
Location: Club C

Invited: Eli Sutter (USA)Xinliang Feng (Germany)

2:45pm - 5:10pmMS-99: Non-covalent interactions in crystal engineering II
Location: Club D

Invited: Andrea Pizzi (Italy), Christian Jelsch (France)

5:10pm - 6:10pmAfternoon break 7: Coffee/tea
Location: Exhibition and poster area
5:10pm - 6:10pmPoster - 48 Fragment screening: Fragment screening

 

5:10pm - 6:10pmPoster - 49 Non-covalent: Non-covalent interactions in crystal engineering

 

5:10pm - 6:10pmPoster - 50 High Pressure: High Pressure Crystallography

 

5:10pm - 6:10pmPoster - 51 Stimuli: Stimuli-responsive crystalline compounds

 

5:10pm - 6:10pmPoster - 52 Time-resolved: Time resolved phase evolution, interaction and crystallization in soft matter

 

5:10pm - 6:10pmPoster - 53 Phase transitions: Structure and phase transitions in advanced materials

 

5:10pm - 6:10pmPoster - 54 Methods: Methods

Date and time of the session to be determined.

5:10pm - 6:10pmPoster - 55 XAFS: XAFS

 

6:10pm - 7:00pmPL-3: The structural biology of pathogenic amyloid fibrils
Location: Panorama

David Eisenberg

7:00pm - 7:45pmClosing ceremony: Poster prizes, closing
Location: Panorama
Date: Sunday, 22/Aug/2021
8:10am - 5:00pmTrain trip Pilsen: Plzeň

Prague (8:13 CHANGE - Pilsen, excursion in brewery, lunch, Pilsen - Prague (departure 15:22) 

Date: Wednesday, 25/Aug/2021
2:00pm - 6:00pmWorkshop - 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 - 8:00pmSchool - Computing: Crystallographic Computing School
Location: virtual

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.

2:00pm - 8:00pmSchool - ePDF: School on electron PDF (pair-distribution function)
Location: virtual

virtual meeting

Date: Thursday, 02/Sept/2021
2:00pm - 8:00pmSchool - Computing 2: Crystallographic Computing School
Location: virtual

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.

2:00pm - 8:00pmSchool - ePDF 2: School on electron PDF (pair-distribution function)

virtual meeting

Date: Friday, 03/Sept/2021
2:00pm - 8:00pmSchool - Computing 3: Crystallographic Computing School
Location: virtual

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.