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International School of Crystallography - Erice

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Ettore Majorana Foundation and Centre for Scientific Culture
President: Professor Antonino Zichichi

INTERNATIONAL SCHOOL of CRYSTALLOGRAPHY

Director: Sir Tom Blundell, FRS FMedSci

56th Course:

Crystallography under extreme conditions
the future is bright and very compressed

Erice 3 - 11 June 2022

57th Course:

Diffuse scattering: the crystallography of dynamics, defects, and disorder

Erice 3 - 11 June 2022

56th Course:

Crystallography under extreme conditions
the future is bright and very compressed

Erice 3 - 11 June 2022

Directors of the course:

S. Deemyad

S. Deemyad

University of Utah, Salt Lake City (UT), US

K. Dziubek

K. Dziubek

European Laboratory for Non-Linear Spectroscopy (LENS), Florence, IT

H. Maynard-Casely

H. Maynard-Casely

Australian Centre for Neutron Scattering (ANSTO), Sydney, AU


PURPOSE OF THE COURSE

Subjecting matter to extreme conditions reveals a multitude of fascinating phenomena, and is applicable to a wide range of disciplines. From the extremophiles that exist in the deepest depths of our oceans to the exotic new materials that are made when atoms are pushed ever closer together, understanding the structure of materials at extreme conditions affects Biology, Chemistry, Physics, Geoscience and Material Science. In order to achieve its goals, high pressure research has been always at the vanguard of technical progress. It is a discipline in which equipment plays a particularly important role. State-of-the-art diamond anvil cells can now achieve megabar ranges of pressure, millions of times atmospheric pressure, with this beaten by an order of magnitude in dynamic compression experiments. In this manner, scientists are able to mimic the conditions in the interiors of giant planets. Nature is even more ambitious, as in the stars petapascal pressures (the order of tens to hundreds billion atmospheres) are reached. In the laboratory, we can even create conditions of pressure, temperature and magnetic fields that are not found naturally, allowing us to complement nature to explore more exotic phases of matter.

Therefore, the course will cover broad ground in the application of extreme conditions crystallography. The topics will span from fundamentals of high-pressure single crystal and powder diffraction, to presenting the many flavors of static and dynamic compression, to reviews of sources for extreme conditions work (synchrotrons, neutrons and free electron lasers). Complementary experimental (Mössbauer spectroscopy, X-ray magnetic circular dichroism, X-ray absorption spectroscopy, inelastic scattering) and computational methods will also be discussed. Diffraction analysis on the structure of liquids, glasses and nanocrystalline materials as well as multigrain crystallography will also be introduced. The lectures will be harmonized with the related sessions of interactive tutorials, providing hands-on experience to the attendees. These workshops will be focused on basic laboratory skills and the elements of data processing software related to the high pressure

SPEAKERS AND TUTORS

E. BOLDYREVA
Novosibirsk State University, Novosibirk, RU

G. COLLINS
University of Rochester, Rochester (NY), US

J. CONTRERAS-GARCIA
Centre national de la recherche scientifique (CNRS), Paris, FR

I. DANIEL
Université Claude Bernard Lyon 1, Lion, FR

A. DEWAELE
French Alternative Energies and Atomic Energy Commission (CEA), Paris, FR

A. GROCKOWIAK
Brazilian Center for Research in Energy and Materials (CNPEM), Campinas, São Paulo, BR

B. HABERL
Oak Ridge National Laboratory (ORNL), Oak Ridge (TN), US

D. HASKEL
Advanced Photon Source, ANL, Lemont (IL), US

Y. LEE
Yonsei Univeristy, Seoul, KR

A. KATRUSIAK
Adam Mickiewicz Univeristy, Poznan, PL

N. MARQUES DE SOUZA NETO
Brasilian Synchrotron Light Laboratory (LNLS), Campinas, São Paulo, BR

E. McBRIDE
Stanford Linear Accelerator (SLAC), Stanford (CA), US

M. MEYER
Rigaku, Wroclaw, PL

S. MOGGACH
University of Western Australia, Perth, AU

T. OHUCHI
Geodynamics Research Center, Ehime University, Ehime, JP

V. PRAKAPENKA
University of Chicago and Argonne National Lab, US

C. PRESCHER
University of Freiburg, Freiburg DE

A. SANO-FURUKAWA
J-PARC Center, Japan Atomic Energy Agency, Ibaraki, JP

M. TUCKER
Oak Ridge National Laboratory (ORNL), Oak Ridge (TN), US

M. WILKE
Universität Potsdam, Potsdam, DE

L. ZHANG
Center for High Pressure Science and Technology Advanced Research (HPSTAR), Beijing, CN

E. ZUREK
University of Buffalo, Buffalo (NY), US

57th Course:

Diffuse scattering: the crystallography of dynamics, defects, and disorder

Erice 3 - 11 June 2022

Directors of the course:

N. Ando

N. Ando

Cornell University - Ithaca (NY), US

A. Goodwin

A. Goodwin

University of Oxford - Oxford, UK


PURPOSE OF THE COURSE

Periodic order is the sine qua non of crystallography. Yet sometimes it is the departure from order that is crucial for material function. Proteins, frustrated magnets, photovoltaics, battery materials, high-temperature superconductors — there are many examples of important systems where disorder of one sort or another plays a pivotal role. Crystallographically, the signature of disorder is the existence of a diffuse component to the scattering function, usually orders of magnitude weaker than the conventional Bragg scattering. The advent of intense radiation sources, the development of revolutionary detector technologies, and the ready availability of high-performance computing have collectively transformed our ability to measure and interpret diffuse scattering from disordered crystals. As a result, scientists across many disciplines — from biochemistry to condensed-matter physics — are discovering all sorts of new types of disorder and importantly, all sorts of new ways in which disorder is critical for function.
This course will cover the background necessary to measure and interpret diffuse scattering from disordered crystals. Its contents span the theory of diffraction and diffuse scattering, the practicalities of its measurement, and the many different approaches taken to its interpretation. The programme is loosely split into two strands – one with a focus on materials chemistry & physics and the other concerned mostly with protein dynamics. Collectively, the course will cover the various origins of diffuse scattering (e.g. dynamics, compositional/displacive disorder, magnetic disorder), and its form in both single-crystal and powder samples. There will be extensive discussion of real-space interpretations, including the well-known pair distribution function (PDF) and its variants (e.g. 3D-ΔPDF). These lectures will draw on and highlight key scientific discoveries from the recent literature. In parallel to the lecture course, the course will offer a broad selection of tutorials and workshops that will cover many of the key analysis approaches: such as molecular dynamics, Monte Carlo simulations, the Debye equation, small-box and big-box atomistic modelling.

SPEAKERS AND TUTORS

K. AYYER
MPSD, Hamburg, DE

S. BILLINGE
Columbia University, New York, NY, US

A. BOSAK
ESRF, Grenoble, FR

J. BULLED
University of Oxford, Oxford, UK

H.-B. Bürgi
Univeristy of Bern, CH

S. CAPELLI
ISIS, Oxford, UK

K. Chapman
Stony Brook University - Stony Brook (NY), US

H. GINN
Diamond Light Source, Didcot, UK

A. GUAGLIARDI
IC-CNR, Como, IT

D. HEKSTRA
Harvard University, Cambridge (MA), US

K. M. Ø. Jensen
University of Copenhagen - Copenhagen, DK

D. Keen
ISIS, Oxford, UK

S. Meisburger
Cornell University, Ithaca, NY, US

R. B. Neder
Friederich Alexander Uiversitaet - Erlangen, DE

R. OSBORN
ANL, Lemont, IL, US

J. Paddison
ORNL, Oak Ridge, TN, US

A. Peck
SLAC - Stanford (CA), US

N. K. Sauter
Lawrence Berkeley National Laboratory - Berkley (CA), US

A. SIMONOV
ETH, Zurich, CH

M. TUCKER
Oak Ridge National Laboratory (ORNL), Oak Ridge (TN), US

M. WALL
LANL, Los Alamos, NM, US

D. WYCH
LANL, Los Alamos, NM, US


Previous Schools

2021 • 55th Course
Molecular Crystal Engineering
Directors: Ulrich J. Griesser · Matteo Lusi · Lucia Maini

2019 • 54th Course
Cryo 3D Electron Microscopy
Directors: Dorit Hanein · Steven Ludtke · Stefan Raunser

2019 • 53rd Course
Magnetic Crystallography
Directors: Branton J. Campbell · Maria Teresa Fernandez-Diaz · J. Manuel Perez-Mato

Future Schools

2023 • 58th Course
Structural Drug Design

2024 • 59th Course
Powder Diffraction

2025 • 60th Course
Electron Crystallography

2025 • 61st Course
Quantum Crystallography

Shanti Deemyad

deemyad Shanti Deemyad is Associate Professor of Physics at the University of Utah, USA. After graduating from Sharif University of Technology, she received her PhD in Physics from Washington University in St Louis working in Jim Schillings group in 2004. In her doctoral thesis, Deemyad studied pressure effects on a number of superconducting materials including superconductivity of lithium under nearly hydrostatic conditions. After that, she was a post-doc at Harvard University, until 2009, working with Ike Silvera where she studied the melting curve of hydrogen. She is currently head of laboratory http://www.physics.utah.edu/~deemyad. Her lab is divided in two major areas: quantum solids and highly correlated electron systems with an emphasis on studying the nature of electronic interactions; and high pressure guided synthesis of materials with new or enhanced properties for energy storage and transport. She has been elected Chair of the Gordon Research Conference on High Pressure in 2016 and, in that role, she has been ex officio Member of the AIRAPT Executive Committee. She has been elected Member of the AIRAPT Executive Committee in 2017 and current Treasurer of AIRAPT since 2019.

Kamil Filip Dziubek

Dziubek Kamil Filip Dziubek studied chemistry at Adam Mickiewicz University, Poznań, Poland, both at a graduate and postgraduate level, receiving his PhD in 2009. In 2014 he moved to the European Laboratory for Non-Linear Spectroscopy (LENS) in Florence, Italy. His interests cover high-pressure synthesis of novel functional materials from molecular organic precursors and the design and development of hybrid organic-inorganic nanocomposites. More recently he has had a focus on chemical aspects of the deep carbon cycle. In addition, Kamil is an active member of the high pressure research community (incumbent chair of the IUCr Commission on High Pressure). He also supports equality and diversity in science co-organizing Women under High Pressure ‘Power Hour’ gatherings at various conferences and workshops.

H. Maynard-Casely

Maynard-Casely Helen Maynard-Casely is a Senior Instrument Scientist at the Australian Centre for Neutron Scattering, ANSTO. Her research interests centre about the structures of materials relevant to the dwarf planets of our solar system. Her journey to exploring these icy worlds began with her degree in Planetary Sciences from University College London, and was followed by her PhD in high-pressure physics undertaken at the University of Edinburgh. Moving to Australia first to a post-doctoral position at the Australian Synchrotron, she moved to the Australian Centre for Neutron Scattering in 2013 to work on the High Intensity Diffractometer (known as Wombat). When not working on Wombat, Helen also enjoys promoting crystallography and science to as wide an audience as possible, for example she coordinated the 2014 Crystallography365 project (https://www.iycr2014.org/learn/crystallography365), was the 2019 Australian Institute of Physics ‘Women in Physics’ Lecturer and published her first children’s book (I heart Pluto) in 2020.

Nozomi Ando

Ando Nozomi Ando is an Associate Professor of Chemistry and Chemical Biology at Cornell. She received her BS from MIT and her PhD from Cornell, both in physics. As part of her graduate work, she developed high-pressure small-angle X-ray scattering at the Cornell High Energy Synchrotron Source (CHESS). As a postdoctoral fellow at MIT, she demonstrated how X-ray scattering can be deconvoluted to reveal insight into dynamic enzymes. She began her independent career in 2014 at Princeton and moved her lab to Cornell in 2018. The Ando Lab develops new tools in structural biology to understand the molecular mechanisms of protein allostery. Most recently, her group developed accurate methods to process and interpret diffuse scattering from protein crystals.

Andrew Goodwin

Goodwin Andrew Goodwin is Professor of Materials Chemistry and a University Research Professor at Oxford. He studied at the Universities of Sydney and Cambridge before moving to Oxford in 2009 to join its Chemistry Faculty. His particular research interest is in the dual roles of disorder and flexibility in functional materials, including metal–organic frameworks, hybrid perovskites, battery materials, frustrated magnets, and oxide ceramics. Andrew's group specialises in the use and development of diffuse scattering measurements – neutron and X-ray, powder and single-crystal. In addition to his research programme, Andrew also plays an active role in oversight and beamline development at both Diamond and ISIS - the UK's X-ray synchrotron and neutron spallation sources.