Workshop of the working group `Chemical Crystallography (ChemKrist)' of the section `Analytical Chemistry' of the German Chemical Society (GDCh) and the working group `Molecular compounds' of the German Crystallographic Society (DGK)

Lectures and poster presentations

• Fundamentals of X-ray powder diffraction
• How to collect quality powder diffraction data
• Crystal-structure determination of organic compounds from X-ray powder diffraction data: Fundamentals, Rietveld refinement, applications, new developments, tips and tricks
• Qualitative and quantitative phase analysis, investigation of polymorphism
• X-ray powder diffraction in the pharmaceutical industry
• Investigation of nanocrystalline and amorphous organic compounds with the pair distribution function (PDF)
• Combination of X-ray powder diffraction and electron diffraction

Organization: Prof Dr Martin U. Schmidt (Goethe University, Frankfurt) and Dr Norbert Nagel (Sanofi-Aventis, Frankfurt)

Workshop of the Cambridge Crystallographic Data Centre (CCDC) in connection with the working group 1Molekülverbindungen' of the German Crystallographic Society â€" DGK. Organisation: Dr. Steven Maginn (CCDC, Cambridge) and Prof. Dr. Martin U. Schmidt (Goethe University, Frankfurt).

The Cambridge Structural Database (CSD) and its accompanying software for search and analysis (ConQuest, Mercury, IsoStar and Mogul) - together known as the CSD System (CSDS) - is a fundamental resource in structural chemistry, finding applications in academia and in industry across a broad range of topics such as drug design and discovery, drug development and formulation, and materials science.

The workshop will provide information about the CSD itself, its content and its production. The CSDS software will be described, and a number of hands-on examples of the use of the CSDS to address real problems of both industrial and academic importance will be followed. These will include:

"Discovery Chemistry"

• Finding similar molecules to known actives
• Understanding factors affecting molecular conformation
• Searching for new medicinal chemistry ideas using structural information on known active molecules
• Checking the reported structures of ligands in protein-ligand crystal structures against observed conformations in the CSD

"Materials Chemistry"

• Looking for similar crystal packing motifs
• Calculating the propensity of a molecule to form multiple accessible polymorphs
• Looking for suitable co-crystallisation partner molecules
• Inspecting the interactions present in a crystal structure and comparing them with those formed by the molecule's constituent functional groups in the CSD, as a guide to polymorphic relative stability
• Inspecting the preferred interactions at a crystal surface as a guide to the design of habit modifiers.

The CSDS is constantly developing to ensure the widest possible use and application of crystallographic knowledge. New ways of accessing this information are being made available, such as API access to CSDS functionality, web services and web applications. These new ways of including crystallographic information in solutions will be described, discussed and demonstrated in the workshop.

Following the previous two meetings held in Garmisch (V) and Giens (VI), the present conference deals with materials microstructure and properties, as they can be studied by diffraction methods, with a special interest in the application of diffraction techniques to polycrystalline materials, methodologies for the study of lattice defects, residual stress and texture in thin films, surfaces and nanostructures, line-broadening analysis, line-profile fitting and modelling based on fundamental parameters for applications in materials science problems. New topics, added at SS-VI, were microbeam diffraction and coherent diffraction. SS-VII will add X-ray and neutron imaging, and PDF (pair distribution function) analysis to the list of methodologies covered.

 The seventh Size-Strain conference will take place in the historic city of Oxford. Scientific sessions will take place at the University of Oxford's Department of Engineering Science and accommodation will be available to book in nearby Trinity College. A half day trip to Diamond and ISIS will be arranged and transport provided.

 Co-chairs: Ian Robinson (UCL) and Alexander Korsunsky (Oxford)

Crystallography: Fundamentals, Online Tools and Applications

The European Crystallographic Association (ECA) and the University of Oviedo invite the world-wide crystallographic community (and all scientists and students working in any related field) to an intensive session of working together and learning crystallography from each other.

With help from our sponsors, we have achieved a registration cost of 570 euros (young academic, including accommodation and meals). We expect to have student bursaries available to reduce the cost further for a limited number of attendees. The number of attendees is limited to 90 students.

The application deadline is March 31st, 2015.

Programme

The programme schedule aims to answer the new and challenging requirements of the crystallography education and training during the 2nd century of modern crystallography. It is divided into four different modules:

Pre-school basic tools:

• Matrix calculus in crystallography
• Symmetry elements and symmetry operations
• Basic group theory
• Introduction to Reciprocal Space

Fundamental Crystallography:

• Symmetry groups and types of symmetry in direct space
• Space groups and their description in International Tables for Crystallography, Vol. A
• Group-subgroup relations â€" On line tools.
• Crystal-structure descriptions â€" On line tools.
• Crystal-structure relations â€" On line tools.
• Diffraction and Phasing.
• Diffraction Methods for Metal-Organic and Inorganic crystals.
• Diffraction Methods for biological crystals.
• Diffraction Methods for Nanomaterials â€" Electron diffraction.
• Diffraction Metodos for Magnetic Materials.
• Practical sessions on Online Tools â€" Tutorials : Sir/Expo-Janaâ€"Toposâ€"Fullprof

 Specific Subjects:

• Biological Crystallography
• Materials Crystallography
• On line tools â€" Tutorials: CCP4, SHELX, SIR

Hot topic Subjects:

• Time resolved Crystallography
• XFEL Crystallography
• Electron Crystallography
• Crystallography in the Space

ECACOMSIG - the European Crystallographic Association's Computing Special Interest Group

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The Workshop will be held over two full days (21st & 22nd August); there will be an introductory lecture and "get-together" on the evening of 20th August, so participants should plan to arrive on that afternoon. Provided there is sufficient demand, transport will be provided (and included in the registration fee) to ECM29 in Rovinj on the morning of 23rd August.

The Workshop will be open to a maximum of 40 applicants. A limited number of bursaries will be available to assist with the cost of attendance.

Generous sponsorship has allowed us to set the registration fee (including lunch and refreshments on 21st and 22nd August) to € 100, excluding accommodation.

Registration (including accommodation bookings) is via the ECM29 website

All queries should be sent to either Harry Powell or Andrea Thorn.

Confirmed speakers include

New electrical fusion system for x-ray fluorescence analysis, Rainer Schramm, FLUXANA GmbH & Co. KG

New applications in XRF analysis including small samples, layers and small spots by WDXRF, Didier Bonvin, Thermofisher.

From R&D to Manufacture: The Challenges of XRF Analysis in Industrial Catalyst Production, David Maclachlan, Johnson Matthey.

Report on DOT-2 and introduction of DOT-3, David Beveridge & Heather Harrison.

Topics

• Surface science of catalysis, electrocatalysis and photocatalysis
• Surface engineering and functionalization
• Functional surfaces and coatings
• Surface science applied to energy conversion and storage
• Surface nanotechnology and devices
• Biointerfaces
• Electrochemistry at surfaces and corrosion protection strategies
• Advances in surface characterization tools
• Environmentally-friendly materials

UXSS 2015 is jointly organized by the Center for Free-Electron Laser Science (CFEL) at DESY and the PULSE institute at SLAC National Accelerator Laboratory. The summer school program will be highly interdisciplinary, with topics ranging from accelerator physics to molecular biology.Please note that the number of summer school participants will be limited. In order to facilitate the selection of participants, we are asking applicants to provide a short text describing their educational and scientific background and their motivation for applying for participation in UXSS 2015. The applicants will be asked to pay a registration fee in the amount of 100 EUR. Accepted applicants will receive financial support for travel and local expenses, provided by the VolkswagenStiftung.

Please forward this announcement to doctoral students and postdoctoral research associates who you think might be interested in participating in UXSS 2015.

 List of speakers at UXSS 2015
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- Giorgio Margaritondo, EPFL, Switzerland: X-ray light sources

- Robin Santra, DESY & Univ. of Hamburg, Germany: Fundamentals of X-ray--matter interaction

- David Reis, SLAC & Stanford Univ., USA: Ultrafast X-ray application in condensed matter physics

- Linda Young, Argonne Natl. Lab., USA: Atomic and molecular physics using ultrafast X-rays

- Markus Gühr, SLAC, USA: Ultrafast chemical dynamics

- Simone Techert, DESY & Univ. of Göttingen, Germany: Time-resolved structural biology and chemistry

- Thomas White, DESY, Germany: Serial femtosecond crystallography

- Wilfried Wurth, DESY & Univ. of Hamburg, Germany: Ultrafast electronic dynamics in solids

- Ulf Zastrau, Univ. of Jena, Germany: Matter under extreme conditions

Structural Systems Biology - From Molecules to Organisms is organised by Joachim Herz Stiftung and CSSB Â

The CSSB Spring School will provide an introduction to advanced biophysical approaches for Structural Systems Biology.Â

• Courses in sample preparation and analysis, advanced microscopy, single particle analysis, structure determination at atomic resolution and modeling of structure and dynamic of complexes.
• It will allow young researchers (experienced students, PhD students and postdocs) to view challenging problems from interdisciplinary scientific topics like Infection Biology from various methodical angles. Â

With special topic: Phenix

The Canadian Macromolecular Crystallography Facility (CMCF) is pleased to announce an intensive 5-day hands-on synchrotron data collection school at the Canadian Light Source. Participants will attend a series of lectures and be actively engaged in macromolecular crystallography (Mx) data collection at CMCF beamlines. Completing the school will enable participants to make effective use of the beamlines remotely and will better equip participants to collect diffraction data on-site. This year's invited speaker is Dr. Paul Adams from the Lawrence Berkeley Laboratory. He will guide participants through an in-depth look at using Phenix during structure solution. Participants should have a basic grounding in crystallography prior to attending the course. Given enough interest, an optional introductory review will be offered on Monday, June 1.

Synthetic and Analytical Methods Enabling a New Frontier in Chemical Biology

Understanding Design and Delivery of Active Pharmaceuticals Including Biomolecules and Parenteral Drugs

Chemical Tools for Decoding Biology and Advancing Medicine

Towards Molecules Performing Useful Work

Insights into Molecular Signaling, Cellular Function and Disease

Microscale Technology for Advancing and Translating Discovery

Epitaxy and Promises

Scope

Epitaxy allows nowadays the usual growth of nanostructures with unique properties. The control of their growth at the finest level is a challenge in achieving new systems. It involves both the understanding of the growth mechanisms together with the knowledge of the properties of materials at the nanoscale. It is a domain where both fundamental research and industrial issues are closely entangled.

This summer school is aimed at giving to Ph-D students, young but also senior scientists, an up-to-date overview on the epitaxy of semi-conductors. The basic growth mechanisms will be presented with an emphasis on the new developments in this understanding. The control of the growth using patterns, selective growth or new geometries such as nanomembranes, nanowires or sheets, will be reviewed. The properties of the epitaxial systems, already explored or expected, will be given both theoretically and experimentally with a description of the characterization techniques. The school will give the opportunity to review the most important achievements in practical applications of epitaxial nanostructures. A particular attention will be given to new trends and pioneering directions, as well as to new materials and devices.

The topics include growth, nanostructures, characterization, physical properties and devices.

Crystal Growth

Semiconductors epitaxy

Properties and characterization

Integration and applications

This summer school is dedicated to PhD students and young scientists. It will provide both a reminder of the basic understanding of epitaxy together with a description of its modern applications. It will explore the latest developments of the crystal growth at the finest levels, its potential together with its challenges. The opto-electronic and magnetic properties of nanostructures made by epitaxy will be described together with their characterization. Finally, the use of epitaxy both in new fundamental objects and in industrial applications will be explored.