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: 24th Sept 2021, 08:50:02am CEST

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

Website - virtual

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

Website - virtual

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
Session Chair: Václav Petříček
Session Chair: Margarida Henriques
Institute of Physics, Czech Academy of Sciences 
9:00am - 4:00pmWorkshop CCDC/FIZ: CSD and ICSD workshop
Location: virtual
Session Chair: Suzanna Ward
Session Chair: Annett Steudel
virtual 
9:00am - 6:30pmSchool - Electron 2: Electron Crystallography School
Location: virtual
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
virtual 
9:00am - 6:30pmSEC - Posters: Electron Crystallography School - Poster
Location: virtual
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
virtual 
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
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
Session Chair: Václav Petříček
Session Chair: Margarida Henriques
Institute of Physics, Czech Academy of Sciences 
8:30am - 4:30pmWorkshop - Olex: Olex2 workshop
Location: virtual
Session Chair: Horst Puschmann
virtual 
9:00am - 5:00pmSchool - Electron 3: Electron Crystallography School
Location: virtual
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
virtual 
9:00am - 5:00pmWorkshop - ICDD: ICDD workshop
Location: virtual
Session Chair: Thomas Nelson Blanton
Session Chair: Jose Miguel Delgado

Virtual workshop 

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

Website - virtual

virtual 
9:00am - 3:00pmWorkshop - MX: MX Raw image data and metadata, formats and validation
Location: virtual
virtual 
9:00am - 4:30pmWorkshop - WDQA: Data quality assesment
Location: 221-2
Session Chair: Julian Henn
221-2 
2:00pm - 5:00pmSchool - Electron 4: Electron Crystallography School
Location: Club H
Session Chair: Xiaodong Zou
Session Chair: Louisa Meshi
Session Chair: Lukáš Palatinus
Club H 
5:30pm - 6:30pmOpening: Opening ceremony
Session Chair: Ivana Kuta Smatanova
Session Chair: Pavlína Řezáčová
 
6:30pm - 7:00pmOpening music: Music
 
7:00pm - 7:50pmEwald: Ewald prize lecture
Session Chair: Suzanna Ward

Olga Kennard

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

Dylan Jayatilaka

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

Holger Stark

Terrace 2B 
9:00am - 9:50amKN-3: Stress state in a diamond anvil cell at megabar pressures at ambient and high temperatures
Location: Club A
Session Chair: Arthur Haozhe Liu

 Leonid Dubrovinsky

Club A 
9:50am - 10:20amMorning break 1: Exhibition, posters, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
10:20am - 12:45pmMS-1: Structural bioinformatics
Location: Club B
Session Chair: Janusz Marek Bujnicki
Session Chair: Jiri Cerny

Invited:  Zhichao Miao (UK)

Club B 
10:20am - 12:45pmMS-2: Validation of cryoEM structures and maps
Location: Club A
Session Chair: Jose-Maria Carazo
Session Chair: Elena Orlova

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

Club A 
10:20am - 12:45pmMS-3: Crystallographic approaches for designing new framework materials (including post-synthetic modification)
Location: 223-4
Session Chair: Yue-Biao Zhang
Session Chair: Sergei Alexandrovich Sapchenko
223-4 
10:20am - 12:45pmMS-4: Quantum crystallography challenges and newest accomplishments
Location: Club C
Session Chair: PIERO MACCHI
Session Chair: Dietmar Stalke

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

Club C 
10:20am - 12:45pmMS-5a: Crystal structure prediction
Location: Terrace 2A
Session Chair: Qiang Zhu

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

Terrace 2A 
10:20am - 12:45pmMS-6: Application of electron crystallography to functional materials
Location: Terrace 2B
Session Chair: Holger Klein
Session Chair: Karla Balzuweit

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

Terrace 2B 
10:20am - 12:45pmMS-7: High troughput vs. careful planning: How to get the best data?
Location: Club H
Session Chair: John Richard Helliwell
Session Chair: Selina Lea Sophie Storm

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

Club H 
10:20am - 12:45pmMS-8: Social media and new frontiers for spreading crystallographic
Location: Club D
Session Chair: Andrea Ienco
Session Chair: Helen Maynard-Casely

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

Club D 
10:20am - 12:45pmSMS-1: Session in the memory of An-Pang Tsai: from quasicrystals to catalysis
Location: 221-2
Session Chair: Marc de Boissieu
Session Chair: Yasushi Ishii
221-2 
12:45pm - 2:45pmECA-0: ECA EC meeting
Session Chair: Udo Heinemann
Session Chair: Arie van der Lee

ECA EC meeting

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

60 min company presentation

Terrace 2A 
2:45pm - 3:45pmMS-5b: Crystal structure prediction
Location: 223-4
Session Chair: Qiang Zhu
Session Chair: Rajeev Ahuja
223-4 
2:45pm - 5:10pmMS-09: Structure guided drug design and antibiotic resistance targets
Location: Club A
Session Chair: Begoña Heras
Session Chair: Anton V. Zavialov

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

Club A 
2:45pm - 5:10pmMS-10: Structural biology of eukaryotic immune systems
Location: Club B
Session Chair: Bostjan Kobe
Session Chair: Savvas Savvides

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

Club B 
2:45pm - 5:10pmMS-11: Ab initio powder structure analysis for polymorphism and phase transformation studies with pharmaceutical applications
Location: Club D
Session Chair: Martin U. Schmidt
Session Chair: Fabia Gozzo

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

Club D 
2:45pm - 5:10pmMS-12: Quantum crystallographic studies on intra/inter-molecular interactions
Location: Club H
Session Chair: Anna Maria Makal
Session Chair: Chérif F. Matta

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

Club H 
2:45pm - 5:10pmMS-13: Porous framework materials for gas adsorption/separation
Location: Club C
Session Chair: Angiolina Comotti
Session Chair: Ryotaro Matsuda

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

Club C 
2:45pm - 5:10pmMS-14: Perovskites
Location: Terrace 2B
Session Chair: Chris Ling
Session Chair: Philip Lightfoot

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

Terrace 2B 
2:45pm - 5:10pmMS-16: Pre and post publication peer review of crystallographic data
Location: Terrace 2A
Session Chair: Mariusz Jaskolski
Session Chair: Anthony Linden

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

Terrace 2A 
2:55pm - 5:55pmSF-1: Software Fayre 1
Location: 221-2
Session Chair: Martin Lutz
221-2 
3:45pm - 5:15pmMS-15: Integrative methodologies for novel thin film structures
Location: 223-4
Session Chair: David Babonneau
Session Chair: Baerbel Krause

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

223-4 
5:10pm - 6:10pmAfternoon break 1: Poster session A1, exhibition, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
5:10pm - 6:10pmPoster - 01 Bioinformatics: Structural bioinformatics
Session Chair: Jiri Cerny
Session Chair: Bohdan Schneider
Session Chair: Janusz Marek Bujnicki

 

 
5:10pm - 6:10pmPoster - 02 Drug design: Drug design
Session Chair: Begoña Heras
Session Chair: Anton V. Zavialov

 

 
5:10pm - 6:10pmPoster - 03 Structure prediction: Crystal structure prediction
Session Chair: Qiang Zhu

 

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

 

 
5:10pm - 6:10pmPoster - 05 MOF: Metal-organic frameworks
Session Chair: Sergei Alexandrovich Sapchenko
Session Chair: Yue-Biao Zhang

 

 
5:10pm - 6:10pmPoster - 06 Perovskites: Perovskites
Session Chair: Philip Lightfoot
Session Chair: Chris Ling

 

 
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

virtual 
6:10pm - 7:00pmKN-4: Crystal forms in pharmaceutical applications
Location: Terrace 2B
Session Chair: Marijana Đaković

Susan Reutzel-Edens

Terrace 2B 
6:10pm - 7:00pmKN-5: State of the art understanding of diffraction from aperiodic crystals
Location: Terrace 2A
Session Chair: Ma. Louise Antonette Navarro De Las Peñas

Uwe Grimm

Terrace 2A 
6:10pm - 7:00pmKN-6: The Coronavirus Structural Task Force
Location: Club A
Session Chair: Marcin Nowotny

Andrea Thorn

Club A 
7:15pm - 10:15pmIUCr: IUCr assembly
Location: Club H
Session Chair: Sven Lidin
Session Chair: Alex Ashcroft
Session Chair: Luc Van Meervelt

IUCr assembly 1

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

Lukáš Palatinus

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

 Artem Abakumov

Terrace 2B 
9:00am - 9:50amKN-9: Crystalline sponge, metal-organic assembles
Location: Club A
Session Chair: Masaki Kawano

Makoto Fujita

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

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

Club A 
10:20am - 12:45pmMS-18a: Phase transitions in complex materials (structure and magnetism) I
Location: Terrace 2B
Session Chair: Yuichi Shimakawa
Session Chair: Alexandra Gibbs

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

Terrace 2B 
10:20am - 12:45pmMS-19: Crystal structures of pharmaceutical and organic compounds from electron diffraction
Location: Terrace 2A
Session Chair: Ute Kolb
Session Chair: Petr Brazda

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

Terrace 2A 
10:20am - 12:45pmMS-20: Dynamic frameworks
Location: Club C
Session Chair: Christopher SUMBY
Session Chair: Michael John Zaworotko

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

Club C 
10:20am - 12:45pmMS-21: Structure, modeling and properties of quasicrystals
Location: Club B
Session Chair: Michael Engel
Session Chair: Cesar Baban Pay Gómez

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

Club B 
10:20am - 12:45pmMS-22: Methods and software developments for magnetic-structure analysis
Location: 223-4
Session Chair: J. Manuel Perez-Mato

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

223-4 
10:20am - 12:45pmMS-23: Ptychography: present and near future
Location: Club D
Session Chair: Manuel Guizar Sicairos
Session Chair: Julio Cesar da Silva

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

Club D 
10:20am - 12:45pmMS-24: Data-driven discovery in crystallography
Location: Club H
Session Chair: Olivier C. Gagné
Session Chair: Anton Oliynyk

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

Club H 
10:20am - 12:45pmSF-2: Software Fayre 2
Location: 221-2
Session Chair: Martin Lutz
221-2 
12:45pm - 2:45pmLunch 2: Exhibition, posters, lunches
Location: Exhibition and poster area
Exhibition and poster area 
12:45pm - 2:45pmMeeting ECA1: ECA Council Meeting
Location: Club H
Session Chair: Udo Heinemann
Session Chair: Arie van der Lee

ECA council meeting 1

Club H 
1:30pm - 2:00pmCS-2: Commercial session: Xenocs
Location: Terrace 2A
Session Chair: Jerome Boutant
Session Chair: Milan Dopita

30 min company presentation

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

30 min company presentation

Terrace 2A 
2:45pm - 5:10pmMS-25: Structural biology against coronavirus/covid-1
Location: Club A
Session Chair: Sarah EJ Bowman
Session Chair: Lu Zhang
Session Chair: Gianluca Santoni

Invited: Xuhui Huang (China)

Club A 
2:45pm - 5:10pmMS-26: Solution scattering and combined techniques for biological systems, including component dynamics
Location: Club B
Session Chair: Frank Gabel
Session Chair: Masaaki Sugiyama

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

Club B 
2:45pm - 5:10pmMS-27: New trends in pharmaceutical materials
Location: Club D
Session Chair: Nikoletta B. Bathori
Session Chair: Laszlo Fabian

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

Club D 
2:45pm - 5:10pmMS-28: Theory and practice of supramolecular synthons in crystal engineering
Location: Club C
Session Chair: Seiji Tsuzuki
Session Chair: Alessia Bacchi

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

Club C 
2:45pm - 5:10pmMS-29: Texture, strain and structure in metals and ceramics
Location: 223-4
Session Chair: David Rafaja

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

223-4 
2:45pm - 5:10pmMS-30: Magnetic structures of novel and functional materials
Location: Club H
Session Chair: Virginie Simonet
Session Chair: Václav Petříček

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

Club H 
2:45pm - 5:10pmMS-31: Recent advances in instrumentation
Location: Terrace 2B
Session Chair: Ehrenfried Zschech
Session Chair: Michele Cianci

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

Terrace 2B 
2:45pm - 5:10pmMS-32: Recent advances in electron crystallography techniques
Location: Terrace 2A
Session Chair: Jim Ciston
Session Chair: Mauro Gemmi

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

Terrace 2A 
2:45pm - 5:10pmSMS-2: Exemplary practice in chemical, biological and materials database archiving
Location: 221-2
Session Chair: Suzanna Ward
Session Chair: Genji Kurisu

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

221-2 
5:10pm - 6:10pmAfternoon break 2: Poster session A2, exhibition, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
5:10pm - 6:10pmPoster - 09 Automation in bio: Automation in biocrystallography
Session Chair: Santosh Panjikar
Session Chair: Melanie Vollmar

 

 
5:10pm - 6:10pmPoster - 10: Solution scattering
Session Chair: Frank Gabel
Session Chair: Masaaki Sugiyama

 

 
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
Session Chair: Alessia Bacchi
Session Chair: Seiji Tsuzuki

 

 
5:10pm - 6:10pmPoster - 13 Data: Crystallographic data
Session Chair: Olivier C. Gagné
Session Chair: Anton Oliynyk

 

 
5:10pm - 6:10pmPoster - 14 Instrumentation: Advances in instrumentation
Session Chair: Michele Cianci
Session Chair: Ehrenfried Zschech

 

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

 

 
5:10pm - 6:10pmPoster - 16 Texture, defects: Texture, strain, stress, real structure
Session Chair: David Rafaja

 

 
6:10pm - 7:00pmKN-10: Gjonnes medal lecture
Location: Terrace 2A
Session Chair: Louisa Meshi

Ute Kolb, Sven Hovmöller

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

Delia Haynes

Terrace 2B 
6:10pm - 7:00pmKN-12: Structural hybrid methods to probe membrane transport nanomachines in pathogenic bacteria
Location: Club A
Session Chair: Julie Bouckaert

Natalie Strynadka

Club A 
7:15pm - 10:15pmIUCr-2: IUCr assembly
Location: Club H
Session Chair: Sven Lidin
Session Chair: Luc Van Meervelt
Session Chair: Alex Ashcroft

IUCr assembly 2

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

Andrew Goodwin

Terrace 2A 
9:00am - 9:50amKN-14: Quantum crystallography and spintronic materials
Location: Terrace 2B
Session Chair: Krzysztof Wozniak

Piero Macchi

Terrace 2B 
9:00am - 9:50amKN-15: Time resolved macromolecular crystallography
Location: Club A
Session Chair: Ivana Kuta Smatanova

Arwen R Pearson

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

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

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

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

Club B 
10:20am - 12:45pmMS-35: Polymorphism and structural transformation of organic crystals from synthesis to characterization
Location: Club D
Session Chair: Kenneth D. M. Harris
Session Chair: Doris E. Braun

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

Club D 
10:20am - 12:45pmMS-36: Generalizations of crystallographic groups and their applications
Location: 221-2
Session Chair: Gregory L McColm
Session Chair: Eden Delight Miro

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

221-2 
10:20am - 12:45pmMS-37: Total scattering
Location: Terrace 2A
Session Chair: Pierre Bordet
Session Chair: Emil Bozin

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

Terrace 2A 
10:20am - 12:45pmMS-38: Structural, electronic and magnetic ordering: From fundamental physics to functionality
Location: Club C
Session Chair: Javier Sanchez-Benitez
Session Chair: Ovidiu Garlea

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

Club C 
10:20am - 12:45pmMS-39: Quantum crystallography in materials science
Location: Terrace 2B
Session Chair: Simon Grabowsky
Session Chair: Jean-Michel Gillet

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

Terrace 2B 
10:20am - 12:45pmMS-40: New applications of coherent scattering
Location: 223-4
Session Chair: Ian Robinson
Session Chair: Christian Gutt

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

223-4 
10:20am - 12:45pmSMS-3: Online crystallography: Tools, apps and web services
Location: Club H
Session Chair: Eugene Krissinel
Session Chair: Christian Bertram Hübschle

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

Club H 
12:45pm - 2:45pmECA-ECM: ECM programme committees
Location: Club H
Session Chair: Sylvain Ravy

ECM programme committee meetings -Versaille,Padova

Club H 
12:45pm - 2:45pmLunch 3: Exhibition, posters, lunches
Location: Exhibition and poster area
Exhibition and poster area 
1:00pm - 2:00pmMeeting 3 - Journals: Commission on Journals open meeting
Location: Club A
Session Chair: Andrew Allen
Session Chair: Peter Raymond Strickland
Club A 
1:30pm - 2:00pmCS-4: Commercial session - MiTeGen: Innovations in Crystallography and CryoEM
Location: Terrace 2A
Session Chair: Milan Dopita

30 min company presentation

Terrace 2A 
2:50pm - 3:40pmPL-1: How data have revealed the structural universe
Location: Panorama
Session Chair: John Richard Helliwell

Helen Berman

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

 

 
4:40pm - 5:40pmPoster - 18 CryoEM: Cryo-EM
Session Chair: Jose-Maria Carazo
Session Chair: Jiri Novacek

 

 
4:40pm - 5:40pmPoster - 19 Pharmaceutical: Pharmaceutical materials
Session Chair: Nikoletta B. Bathori
Session Chair: Laszlo Fabian

 

 
4:40pm - 5:40pmPoster - 20 Polymorphism: Polymorphism
Session Chair: Doris E. Braun
Session Chair: Kenneth D. M. Harris

 

 
4:40pm - 5:40pmPoster - 21 Quantum: Quantum crystallography
Session Chair: Chérif F. Matta
Session Chair: Anna Maria Makal
Session Chair: PIERO MACCHI
Session Chair: Katarzyna N. Jarzembska

 

 
4:40pm - 5:40pmPoster - 22 Ptychography: Ptychography, imaging, coherent scattering
Session Chair: Sine Larsen
Session Chair: Ian Robinson

 

 
6:30pm - 7:15pmRefreshment: Refreshment
Location: Exhibition and poster area
Exhibition and poster area 
7:15pm - 8:45pmCultural programme: Concert - Dvorak ensemble
 
Date: Wednesday, 18/Aug/2021
9:00am - 9:50amKN-16: MicroED: conception, practice and future opportunities
Location: Terrace 2A
Session Chair: Louisa Meshi

Tamir Gonen

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

Gwenaelle Rousse

Terrace 2B 
9:00am - 9:50amKN-18: Electron density, and its interplay with the energy and properties of molecules and solids
Location: Club A
Session Chair: Catharine Esterhuysen

Julia Contreras-Garcia

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

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

Club B 
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
Session Chair: Lars Redecke
Session Chair: Fasseli Coulibaly

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

Club A 
10:20am - 12:45pmMS-43: Solid state reactions and dynamics
Location: Terrace 2B
Session Chair: Franziska Emmerling
Session Chair: Javier Marti-Rujas

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

Terrace 2B 
10:20am - 12:45pmMS-44: Beyond pure point diffraction: Theory and application of diffuse scattering
Location: Club H
Session Chair: Nicolae Strungaru
Session Chair: Uwe Grimm

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

Club H 
10:20am - 12:45pmMS-45: Frustrated magnetic order and emerging science
Location: Club C
Session Chair: Romain Sibille
Session Chair: Geetha Balakrishnan

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

Club C 
10:20am - 12:45pmMS-46: In-situ and in operando studies of battery materials
Location: Club D
Session Chair: Vanessa Kate Peterson
Session Chair: Claire Villevieille

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

Club D 
10:20am - 12:45pmMS-47a: Nanocrystalline materials I
Location: 223-4
Session Chair: Cinzia Giannini
Session Chair: Jinong Zhu

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

223-4 
10:20am - 12:45pmMS-48: Combination of X-rays and electrons for structure characterization
Location: Terrace 2A
Session Chair: Joke Hadermann
Session Chair: Junliang Sun

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

Terrace 2A 
10:20am - 12:45pmSF-3: Software Fayre 3
Location: 221-2
Session Chair: Martin Lutz
Session Chair: Claudia Millán
221-2 
12:45pm - 2:45pmLunch 4: Exhibition, posters, lunches
Location: Exhibition and poster area
Exhibition and poster area 
12:45pm - 2:45pmMeeting ECA2: ECA Council Meeting
Location: Club H
Session Chair: Udo Heinemann
Session Chair: Arie van der Lee

ECA council meeting 2

Club H 
1:00pm - 2:00pmWorkshop - Journals: Journal Author Workshop. From data to publication
Location: Club A
Session Chair: Andrew Allen
Session Chair: Michele Zema

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)

Club A 
2:45pm - 5:10pmMS-49: Protein design and engineering
Location: Club A
Session Chair: Charlotte Uetrecht
Session Chair: Sheena McGowan

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

Club A 
2:45pm - 5:10pmMS-51: Molecular magnets and metal-organic frameworks including quantum crystallography approaches
Location: Club B
Session Chair: Jozef Kozisek
Session Chair: Verónica Paredes-García

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

Club B 
2:45pm - 5:10pmMS-52: Combining X-ray diffraction and spectroscopy to characterise materials
Location: Terrace 2A
Session Chair: Carlo Meneghini
Session Chair: Siegbert Schmid

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

Terrace 2A 
2:45pm - 5:10pmMS-53: Function and application of porous crystals
Location: Club C
Session Chair: Karena Chapman
Session Chair: Fernando Uribe-Romo
Club C 
2:45pm - 5:10pmMS-54: Materials for energy conversion and storage
Location: Terrace 2B
Session Chair: Jean-Marc Joubert
Session Chair: Stefan Adams

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

Terrace 2B 
2:45pm - 5:10pmMS-55(47b): Nanocrystalline materials II
Location: 223-4
Session Chair: Cinzia Giannini
Session Chair: Jinong Zhu
223-4 
2:45pm - 5:10pmMS-56: Analysis of the fine structure in electron diffraction data
Location: Club H
Session Chair: Tatiana Gorelik
Session Chair: Xiaodong Zou

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

Club H 
2:45pm - 5:10pmSMS-4: Using crystallography for education during the pandemic
Location: Club D
Session Chair: Oluwatoyin Asojo

Invited: Karsten Theis (USA)

Club D 
2:55pm - 5:55pmSF-4: Software Fayre 4
Location: 221-2
Session Chair: Martin Lutz
221-2 
5:10pm - 6:10pmAfternoon break 4: Poster session B2, exhibition, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
5:10pm - 6:10pmPoster - 23 Protein design: Protein design and engineering
Session Chair: Sheena McGowan
Session Chair: Charlotte Uetrecht

 

 
5:10pm - 6:10pmPoster - 24 Crystallization: Crystallization
Session Chair: Duane Choquesillo-Lazarte

 

 
5:10pm - 6:10pmPoster - 25 Electron: Electron crystallography
Session Chair: Petr Brazda

 

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

 

 
5:10pm - 6:10pmPoster - 28 Porous: Porous materials
Session Chair: Karena Chapman
Session Chair: Fernando Uribe-Romo

 

 
5:10pm - 6:10pmPoster - 29 Solid state: Solid state reactions and dynamics
Session Chair: Javier Marti-Rujas
Session Chair: Franziska Emmerling

 

 
5:10pm - 6:10pmPoster - 30 Nano: Nanomaterials
Session Chair: Cinzia Giannini
Session Chair: Jinong Zhu

 

 
5:10pm - 6:10pmPoster - 31 Total: Total scattering
Session Chair: Emil Bozin
Session Chair: Pierre Bordet

 

 
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
Session Chair: Giuliana Aquilanti

Federico Boscherini

Terrace 2A 
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
Session Chair: Louisa Meshi

Edgar Rauch

Terrace 2B 
6:10pm - 7:00pmKN-21: How limitless antibodies are generated by V(D)J recombination
Location: Club A
Session Chair: Marcin Nowotny

Wei Yang

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

Extra fee

More

 
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
Session Chair: Arthur Haozhe Liu

Yanming Ma

Terrace 2A 
9:00am - 9:50amKN-23: Novel insights on biomineralization using x-rays and optical coherent diffraction based imaging
Location: Terrace 2B
Session Chair: Juan Manuel Garcia-Ruiz

Virginie Chamard

Terrace 2B 
9:00am - 9:50amKN-24: Regulation of gene expression by transcription factors and RNA-binding proteins
Location: Club A
Session Chair: Pavlína Řezáčová

 Udo Heinemann

Club A 
9:50am - 10:20amMorning break 5: Posters, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
10:20am - 12:45pmMS-57: Neutron scattering - sources, applications
Location: Terrace 2B
Session Chair: Matthew Paul Blakeley
Session Chair: Flora Meilleur
Session Chair: Esko Oksanen

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

Terrace 2B 
10:20am - 12:45pmMS-58: Ultra-high resolution macromolecular crystallography and quantum biocrystallography
Location: Club A
Session Chair: Christian Jelsch
Session Chair: Alexander Wlodawer

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

Club A 
10:20am - 12:45pmMS-59: Crystal chemistry with emerging technology I
Location: Terrace 2A
Session Chair: Consiglia Tedesco
Session Chair: Toru Asahi

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

Terrace 2A 
10:20am - 12:45pmMS-60: Composite and incommensurate modulated crystals: structural and physical properties
Location: Club B
Session Chair: Sylvain Ravy
Session Chair: Sander van Smaalen

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

Club B 
10:20am - 12:45pmMS-61: Magnetic structures at extreme conditions and in extreme samples
Location: Club D
Session Chair: Angel M. Arevalo-Lopez
Session Chair: Andrzej Katrusiak

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

Club D 
10:20am - 12:45pmMS-62: The mineral/life interface - prebiotic chemistry, biomineralization, advanced biomimetic materials
Location: Club C
Session Chair: Juan Manuel Garcia-Ruiz
Session Chair: Giuseppe Falini

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

Club C 
10:20am - 12:45pmMS-63: Catalysis: functionalized materials studied by XRD and XAFS
Location: 223-4
Session Chair: Valérie Briois
Session Chair: Andreas Roodt

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

223-4 
10:20am - 12:45pmMS-64: In-situ and time resolved electron crystallography
Location: Club H
Session Chair: Andrew Alexander Stewart
Session Chair: Eva Olsson

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

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

SIG - 5

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

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

Club D 
2:45pm - 5:10pmMS-66: Integrative structural biology: The next 50 years of the Protein Data Bank
Location: Club H
Session Chair: Stephen K. Burley
Session Chair: Dina Schneidman

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

Club H 
2:45pm - 5:10pmMS-67: Crystallization mechanisms of small molecule systems
Location: Terrace 2B
Session Chair: Duane Choquesillo-Lazarte

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

Terrace 2B 
2:45pm - 5:10pmMS-68: Symmetry aspects of magnetic order and magnetic properties
Location: Club B
Session Chair: Mois Ilia Aroyo
Session Chair: Margarida Henriques

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

Club B 
2:45pm - 5:10pmMS-69a: Complex crystal structures - chemical crystallography
Location: Club A
Session Chair: Marie Colmont
Session Chair: Sergey V. Krivovichev
Club A 
2:45pm - 5:10pmMS-70: Matter at extreme conditions at SR and XFEL: complementarity of spectroscopy and diffraction
Location: Club C
Session Chair: Angelika Dorothea Rosa
Session Chair: Ulf Zastrau

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

Club C 
2:45pm - 5:10pmMS-71a: Disordered materials: spectroscopic and scattering techniques I
Location: Terrace 2A
Session Chair: Simon Billinge
Session Chair: Angela Trapananti

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

Terrace 2A 
2:45pm - 5:10pmMS-72: New methods and strategies in NMR crystallography - in Honour of Francis Taulelle
Location: 223-4
Session Chair: Martin Dracinsky
Session Chair: David Bryce

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

223-4 
2:55pm - 5:55pmSF-5: Software Fayre 5
Location: 221-2
Session Chair: Martin Lutz
Session Chair: Claudia Millán
221-2 
5:10pm - 6:10pmAfternoon break 5: Poster session C1, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
5:10pm - 6:10pmPoster - 33 Chemical: Chemical crystallography

 

 
5:10pm - 6:10pmPoster - 34 Catalysis: Catalysis
Session Chair: Valérie Briois
Session Chair: Andreas Roodt

 

 
5:10pm - 6:10pmPoster - 35 Modulated: Composite and Incommensurate Modulated Crystals
Session Chair: Sander van Smaalen
Session Chair: Sylvain Ravy

 

 
5:10pm - 6:10pmPoster - 36 Disordered: Disordered materials
Session Chair: Simon Billinge
Session Chair: Angela Trapananti

 

 
5:10pm - 6:10pmPoster - 37 Biomineralization: Biomineralization, advanced biomimetic materials
Session Chair: Giuseppe Falini
Session Chair: Juan Manuel Garcia-Ruiz

 

 
5:10pm - 6:10pmPoster - 38 Energy: Materials for energy conversion and storage
Session Chair: Stefan Adams
Session Chair: Jean-Marc Joubert

 

 
5:10pm - 6:10pmPoster - 39 Neutrons: Neutron scattering
Session Chair: Esko Oksanen
Session Chair: Matthew Paul Blakeley
Session Chair: Jiri Kulda

 

 
5:10pm - 6:10pmPoster - 40 NMR: NMR crystallography
Session Chair: David Bryce
Session Chair: Martin Dracinsky

 

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

Glaucius Oliva

Club A 
6:10pm - 7:00pmKN-26: Complexity in crystals and minerals
Location: Terrace 2A
Session Chair: Milan Rieder

Sergey Krivovichev

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

Juan Manuel García-Ruiz

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

Clare Grey 

Terrace 2A 
7:50pm - 10:15pmIUCr-3: IUCr assembly
Location: Club H
Session Chair: Sven Lidin
Session Chair: Luc Van Meervelt
Session Chair: Alex Ashcroft

IUCr assembly 3

Club H 
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
Session Chair: Elena Boldyreva

Aleksandr Blagov

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

Malla Reddy

Terrace 2B 
9:00am - 9:50amKN-30: Structure guided inhibitor discovery targeting a membrane receptor involved in atherosclerosis
Location: Club A
Session Chair: Julie Bouckaert

Arockiasamy Arulandu

Club A 
9:50am - 10:20amMorning break 6: Posters, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
10:20am - 12:45pmMS-73: Machine learning in biological and structural sciences
Location: Terrace 2B
Session Chair: Rita Giordano
Session Chair: Harold Roger Powell

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

Terrace 2B 
10:20am - 12:45pmMS-74: Structural biology of receptors, signaling and membrane proteins
Location: Club A
Session Chair: SUSAN KAY BUCHANAN
Session Chair: Michael Parker

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

Club A 
10:20am - 12:45pmMS-75: Small- and Wide-Angle Scattering for industrial materials far from equilibrium
Location: Club D
Session Chair: Jan Ilavsky
Session Chair: Semra IDE

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

Club D 
10:20am - 12:45pmMS-76(59b): Crystal chemistry with emerging technology II
Location: Club C
Session Chair: Consiglia Tedesco
Session Chair: Toru Asahi
Club C 
10:20am - 12:45pmMS-77(71b): Disordered materials: spectroscopic and scattering techniques II
Location: 223-4
Session Chair: Simon Billinge
Session Chair: Angela Trapananti

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

223-4 
10:20am - 12:45pmMS-78: Science meets art: X-ray spectrometry and X-ray diffraction in art and archaeology
Location: Club H
Session Chair: Gilberto Artioli
Session Chair: Sebastian Bette

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

Club H 
10:20am - 12:45pmMS-79(69b): Complex structures of minerals and inorganic materials
Location: Club B
Session Chair: Marie Colmont
Session Chair: Sergey V. Krivovichev
Club B 
10:20am - 12:45pmMS-80: 4th generation SR and XFEL Facilities
Location: Terrace 2A
Session Chair: Makina Yabashi
Session Chair: Sofia Diaz-Moreno

Invited: Jean Susini (France)

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

ECA EC meeting

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

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

Club C 
2:45pm - 5:10pmMS-81: Nucleic acids and binding proteins structure and function
Location: Club A
Session Chair: Stephen Neidle
Session Chair: Charles Bond

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

Club A 
2:45pm - 5:10pmMS-82: Handling of big data in crystallography
Location: 223-4
Session Chair: Wladek Minor
Session Chair: Brinda Vallat
223-4 
2:45pm - 5:10pmMS-83: High pressure crystallography
Location: Terrace 2A
Session Chair: Lars Ehm
Session Chair: Jon Henry Eggert
Session Chair: Vitali Prakapenka
Session Chair: Przemyslaw Dera

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

Terrace 2A 
2:45pm - 5:10pmMS-85: Science meets art: Crystallography and cultural heritage
Location: Club H
Session Chair: Alicja Rafalska-Lasocha
Session Chair: Petr Bezdicka

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

Club H 
2:45pm - 5:10pmMS-86: Modular structure of inorganic and mineral compounds
Location: Club D
Session Chair: Isabella Pignatelli
Session Chair: Berthold Stöger

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

Club D 
2:45pm - 5:10pmMS-87: Topological materials
Location: Terrace 2B
Session Chair: Yugui Yao
Session Chair: Wenhui Duan
Session Chair: Avadh B. Saxena

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

Terrace 2B 
2:45pm - 5:10pmMS-88: Quantum crystallography research
Location: Club B
Session Chair: Yu-Sheng Chen
Session Chair: Katarzyna N. Jarzembska

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

 

Club B 
2:55pm - 5:55pmSF-6: Software Fayre 6
Location: 221-2
Session Chair: Martin Lutz
Session Chair: Claudia Millán
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
Session Chair: Javier Perez
Session Chair: Thomas Weiss

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

Club C 
5:10pm - 6:10pmAfternoon break 6: Poster session C2, coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
5:10pm - 6:10pmPoster - 41 Receptors: Structural biology of receptors, membrane proteins
Session Chair: SUSAN KAY BUCHANAN
Session Chair: Michael Parker

 

 
5:10pm - 6:10pmPoster - 42 Enzymes: Structural biology of enzymes
Session Chair: Mirjam Czjzek

 

 
5:10pm - 6:10pmPoster - 43 Nucleic acid: Nucleic acids and binding proteins structure and function
Session Chair: Charles Bond
Session Chair: Stephen Neidle

 

 
5:10pm - 6:10pmPoster - 44 Art: Crystallography in art and archaeology
Session Chair: Petr Bezdicka
Session Chair: David Hradil

 

 
5:10pm - 6:10pmPoster - 45 Minerals: Complex structures of minerals and inorganic materials
Session Chair: Marie Colmont
Session Chair: Sergey V. Krivovichev
Session Chair: Milan Rieder

 

 
5:10pm - 6:10pmPoster - 46 SAXS: SAXS, SANS
Session Chair: Semra IDE
Session Chair: Jan Ilavsky

 

 
5:10pm - 6:10pmPoster - 47 Synchrotron and XFEL: Synchrotron and XFEL facilities
Session Chair: Sofia Diaz-Moreno
Session Chair: Makina Yabashi

 

 
6:10pm - 7:00pmKN-31: The contribution of crystallography to new vaccine formulations
Location: Terrace 2A
Session Chair: Graciela Carlota Díaz de Delgado

Marcia Fantini

Terrace 2A 
6:10pm - 7:00pmKN-32: Crystallography and cultural heritage - On beauty, science and passion
Location: Terrace 2B
Session Chair: Jose Miguel Delgado

Gilberto Artioli

Terrace 2B 
6:10pm - 7:00pmKN-33: Overview of Global Neutron Sources, Instruments and Initiatives
Location: Club A
Session Chair: Jiri Kulda

Ken Andersen

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

extra fee

National House 
Date: Saturday, 21/Aug/2021
9:00am - 9:50amKN-036: Metadata and checkCIF for raw diffraction data in realising ultimate crystallographic objectivity
Location: Terrace 2B
Session Chair: John Richard Helliwell

Loes Kroon-Batenburg

Terrace 2B 
9:00am - 9:50amKN-34: Fabrication and Characterization of Inhomogeneity-free Polymer Gels
Location: Club A
Session Chair: Marijana Đaković

Mitsushiro Shibayama

Club A 
9:00am - 9:50amKN-35: The Science of Symmetry Breaking
Location: Terrace 2A
Session Chair: Oksana Zaharko

Harold Stokes

Terrace 2A 
9:50am - 10:20amMorning break 7: Coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
10:20am - 12:45pmMS-89: Fragment Screening, LCP, and Automation
Location: Club B
Session Chair: Alice Douangamath
Session Chair: Lisa J. Keefe

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

Club B 
10:20am - 12:45pmMS-90: Structure solution and poorly crystalline materials
Location: Terrace 2A
Session Chair: Angela Altomare

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

Terrace 2A 
10:20am - 12:45pmMS-91: Time-resolved phase evolution, interaction & crystallization in soft matter: Integrative approaches
Location: Club C
Session Chair: Mitsuhiro Shibayama
Session Chair: Jrjeng Ruan

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

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

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

Terrace 2B 
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
Session Chair: Igor Huskić
Session Chair: Tomoji Ozeki

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

Club D 
10:20am - 12:45pmMS-95: Advanced methods for analysis of XAFS and crystallographic data
Location: 223-4
Session Chair: Marco Giorgetti
Session Chair: Paula Macarena Abdala

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

223-4 
10:20am - 12:45pmMS-96: Crystallography schools to promote interdisciplinarity in science
Location: Club H
Session Chair: Alice Brink
Session Chair: Serena Chiara Tarantino

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

Club H 
10:20am - 12:45pmSMS-7: Hydrogen rich compounds: design, properties & phase transitions at high pressures
Location: 221-2
Session Chair: Artem R Oganov
Session Chair: Alexander Goncharov

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

221-2 
12:45pm - 2:45pmLunch 7: Lunches
Location: Exhibition and poster area
Exhibition and poster area 
2:45pm - 5:10pmMS-100: Stimuli-responsive crystalline compounds
Location: Club B
Session Chair: Chiara Massera
Session Chair: Ivan Halasz

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

Club B 
2:45pm - 5:10pmMS-101 (18b): Phase transitions in complex materials (structure and magnetism) II
Location: Club A
Session Chair: Yuichi Shimakawa
Session Chair: Alexandra Gibbs
Club A 
2:45pm - 5:10pmMS-102: Crystallography using large volume presses and diamond anvil cells
Location: Terrace 2B
Session Chair: Shanti Deemyad
Session Chair: Ronald MILETICH

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

Terrace 2B 
2:45pm - 5:10pmMS-103: XAS and crystallography allied for geomaterials and environmental problems
Location: 223-4
Session Chair: J. Fred Mosselmans
Session Chair: Annalisa Martucci

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

223-4 
2:45pm - 5:10pmMS-104: Diffraction imaging, grain mapping in materials and art
Location: Terrace 2A
Session Chair: Jonathan Paul Wright
Session Chair: Sine Larsen

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

Terrace 2A 
2:45pm - 5:10pmMS-97: New methods to fight the pandemic
Location: Panorama
Session Chair: Jane Shelby Richardson
Session Chair: Nicholas Mark Pearce

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

Panorama 
2:45pm - 5:10pmMS-98: 2D type crystals and their heterostructures
Location: Club C
Session Chair: Matteo Bosi
Session Chair: Adela Rodríguez-Romero

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

Club C 
2:45pm - 5:10pmMS-99: Non-covalent interactions in crystal engineering II
Location: Club D
Session Chair: Giuseppe Resnati
Session Chair: Petra Bombicz

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

Club D 
5:10pm - 6:10pmAfternoon break 7: Coffee/tea
Location: Exhibition and poster area
Exhibition and poster area 
5:10pm - 6:10pmPoster - 48 Fragment screening: Fragment screening
Session Chair: Alice Douangamath
Session Chair: Lisa J. Keefe

 

 
5:10pm - 6:10pmPoster - 49 Non-covalent: Non-covalent interactions in crystal engineering
Session Chair: Petra Bombicz
Session Chair: Giuseppe Resnati

 

 
5:10pm - 6:10pmPoster - 50 High Pressure: High Pressure Crystallography
Session Chair: Przemyslaw Dera
Session Chair: Jon Henry Eggert
Session Chair: Lars Ehm
Session Chair: Vitali Prakapenka

 

 
5:10pm - 6:10pmPoster - 51 Stimuli: Stimuli-responsive crystalline compounds
Session Chair: Chiara Massera
Session Chair: Ivan Halasz

 

 
5:10pm - 6:10pmPoster - 52 Time-resolved: Time resolved phase evolution, interaction and crystallization in soft matter
Session Chair: Jrjeng Ruan
Session Chair: Mitsuhiro Shibayama

 

 
5:10pm - 6:10pmPoster - 53 Phase transitions: Structure and phase transitions in advanced materials
Session Chair: Alexandra Gibbs
Session Chair: Yuichi Shimakawa

 

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

Date and time of the session to be determined.

 
5:10pm - 6:10pmPoster - 55 XAFS: XAFS
Session Chair: Paula Macarena Abdala
Session Chair: Marco Giorgetti

 

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

David Eisenberg

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

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

 

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

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

virtual meeting

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

virtual 
2:00pm - 8:00pmSchool - ePDF 2: School on electron PDF (pair-distribution function)
Session Chair: Tatiana Gorelik

virtual meeting

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

virtual 

 
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