In German.

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Die Themen

• Diffraktometrie: Kristallauswahl, -montage, -züchtung, Reflexsuche, -indizierung, Orientierungsmatrix, Gitterkonstanten, Messparameter
• Integration: Flächenindizierung, Datenreduktion, Absorptionskorrektur
• Strukturfaktoren, Symmetrie: Intensitätssymmetrie von Beugungsmustern, systematische Auslöschungen, International Tables, Gruppen- / Untergruppen-beziehungen, Raumgruppenbestimmung, E-Werte, anomale Dispersion, E-Wertstatistik
• Strukturlösung: Fouriertransformationen, Patterson, direkte Methoden, Ursprungsfixierung, Problemfälle
• Strukturverfeinerung: Least-Squares-Verfahren, Statistik, Standardabweichung, Fehlordnung, Zwillinge, anisotrope Auslenkungsparameter, absolute Konfiguration, Restraints, Constraints, Wasserstoffatome
• Dateninterpretation: Validierung, chemische Plausibilität, Fehlinterpretationen

Lecture 33:Â "Dipolar group polarizability as a multipurpose tool for predicting molecular and bulk properties" by Anna Krawczuk (Univ. of Gottingen, Germany)

Lecture 34: "Reliable predictions of crystal structures entirely from quantum mechanics" by Krzysztof Szalewicz (Univ. of Delaware, Newark, USA)

The ACA Summer Course in Chemical Crystallography is a program that is now into its third decade of instruction here in the United States. The current incarnation of the course is directed towards Single-Crystal Chemical Crystallography and Powder Diffraction techniques, as applicable to small molecule studies. The course is designed to instruct attendees in the theory and practice of these two aspects of crystallography.

The course is held every summer, in even years now at Purdue University, and in odd years at Northwestern University. For updates on the course, click here.

No prior knowledge of crystallography is expected from attendees. However, a good understanding of undergraduate level chemistry, physics and mathematics is desirable. While the course is geared towards graduate level attendees, applications from strong undergraduate students will be considered. Â Past course attendees have included faculty members and industrial researchers.

The EPDIC Conference is the biennial meeting dedicated to all aspects of the analysis of polycrystalline materials by diffraction methods. It brings together experts from universities, research institutes and instrumentation companies to share their knowledge and discuss the current trends and challenges in powder diffraction.
In agreement with the traditional character of this Conference, EPDIC18 will yield an exciting scientific program that will cover a broad range of hot traditional and new topics interesting to the powder community.

The Conference will be held in Padova, at the Padova Congress Centre on behalf of AIC. It will be organized in synergy with ECM34, which will precede EPDIC18 in the same location.

Lecture 29: “Quantum crystallography for chemical bonding analysis" by Simon Grabowsky (University of Bern, Switzerland)

Lecture 30: “(Intermolecular) Covalent Interactions: A Quantitative Molecular Orbital Picture “ by F. Matthias Bickelhaupt (Vrije Universiteit Amsterdam, The Netherlands)

7th CrysAC workshop on "Bio-apatite, humans, archaeology, and environment"

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The workshop is the 7th in the series of very successful events organized by the IUCr commission on "Crystallography in Art and Cultural Heritage" (CrysAC), aiming to increase the interaction between crystallographers and different communities working in the area of Cultural Heritage.

This specific workshop focuses on several aspects of apatite crystal structure, crystal chemistry, and microstructure in materials of different nature. Apatite is an incredibly important compound for the geochemistry of phosphorus and for the biochemistry of modern and ancient bones. Its importance in medicine, archaeology, mineralogy, palaeoanthropology, environmental sciences can not be underestimated. The workshop gathers several of the leading experts in apatite investigation from very different research areas: it is expected that such a multi-disciplinary approch will critically present the state-of-the-art of apatite research, with benefit of all participants.

In this Virtual Workshop, we will focus on tools from the CSD Software designed to enhance and assist the visualization and analysis of porous materials such as metal-organic frameworks (MOFs). After learning tactics to search relevant structures using ConQuest, we will focus on functionality in our desktop molecular visualizer software Mercury, including the new Pore Analyser. Along the way you will also discover some and tips and tricks to help you gain new insights from voids and porous materials using structural informatics.

We’ll also have hands-on activities to teach you how to use Mercury for:

• Visualizing porous materials effectively.
• Analysing pore space in your structures using Pore Analyser.
• Understanding porous materials.

The tutors hosting the event have developed these tools for to explore porous materials alongside leading experts in the field.

The workshop will be recorded and all registered participants will have access to the recording.

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Who should attend?

• Research scientists concerned with metal-organics structures and the design of new materials.
• PhD and post-doc researchers interested in catalysis and gas storage and separation.
• Industrial scientists designing new functional materials.
• Researchers who wish to learn more tips and tricks for searching and analysing structures in the CSD using the CSD software.

If you’re interested in comparing polymorphic systems based on their hydrogen bonding networks, and want to understand how to calculate and visualise which hydrogen bonds are likely to form and how hydrogen bonding networks are ranked, then this free, 90-minute, hands-on workshop is for you!

What we'll cover

We will focus on the updated Hydrogen Bond Propensity tool from CSD-Materials to study the hydrogen bond network in a crystal structure and how it ranks compared to putative networks. We will also see how to complement this analysis using Full Interaction Maps (FIMs).

We will have hands-on activities to teach you how to use the desktop molecular visualizer software Mercury for:

The tutors hosting the event have developed these tools for solid form analysis alongside experts from major pharmaceutical companies and academia.

The workshop will be recorded and all registered participants will have access to the recording.

Comprehending and analysing various disorder configurations is crucial in structural analysis and informatics. This knowledge empowers researchers to make informed decisions, undertake risk assessments, and unlock new insights into the underlying structures.

 Join this webinar where we will cover topics including:

- How to improve the representation of disordered structures in Mercury and the CSD Python API

1. Analysis of disorder in the CSD and CIF files.

2. Use Mercury tools with disordered structures.

- How to use the new tools for analysis of void space

1. Use the Pore Analyser tool in Mercury to investigate void space.

2. High-throughput analysis of void space using the CSD Python API.

Who should attend:

- Crystallographers

- Students and chemistry educators wanting to learn more about disorder

- Cheminformatics/Data scientists

- Solid form scientists

- Scientists researching MOFs and porous materials

Dear Colleagues

We (the board members of the Pittsburgh Diffraction Society) are pleased to announce the availability of travel awards to attend the 80^th Pittsburgh Diffraction Conference. The Conference will be held at the Society’s ancestral home, in Pittsburgh, PA, on October 15, 2023 â€" October 17, 2023.

The awards are aimed at students, postdoctoral fellows as well as (non-faculty) staff scientists. Applications from minorities underrepresented in the sciences are especially encouraged. Details can be found here as well as attached.

The conference program includes

·        A historic overview on the Pittsburgh Diffraction Society

·        Scientific Sessions covering the Latest Development at Light Sources, High-pressure Applications, Structure-based drug design, Synergy of Computation and Crystallography, Crystallography and Cryo-EM, Structure property relationships in Quantum and Layered Materials, and many more!

·        A Young Investigator Platform showcasing achievements of students and postdocs

·        Student posters are eligible for the Chung Soo Yoo Award, which carries a $400 cash prize, related to materials and biological research, respectively

·        Fun social activities and Vendor Shows!

·        A Phenix Workshop prior to the conference (Oct 14, 2023, limited availability!)

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For the entire program, the venue and more details, and to register, please visit the conference web page.

The flagship of the European Crystallographic Association (ECA) activities is the European Crystallographic Meeting (ECM), held every year, except when there is an IUCr Congress. The ECMs are the main meeting point for crystallographers in the ECA area to show their recent research. Microsymposia at ECMs are proposed and organized by ECA SIGs.

ECM 34 will be organized at the Padova Congress Centre on behalf of ECA and AIC. It will include all topics of interest to crystallography and it will be organized in synergy with EPIDC 18, which will follow ECM 34 in the same location.

The Young Crystallographers are a working group within the German Society for Crystallography (DGK). For 10 years, we meet regularly in autumn at different universities or the STOE facilities.

These meetings specifically aim to provide a platform for networking and scientific exchange for young scientists with an interest in crystallography, as well as to establish contacts with industry and research institutions.
We want to give young scientists the opportunity to gain early experience in scientific presentation in a relaxed atmosphere and without the stress of a larger conference.

For our grand anniversary, we are happy to meet at the DESY facilities! We are working hard to allow you deep insights as well as a great overview of the possibilities at this large-scale facility.

During the 3-day meeting, you willÂ

• present your own work as a poster (A0 portrait) and lightning talk (~5 min.)
• have the DESY campus tour
• participate in an experiment and get a hands-on experience at a beamline of your choice at PETRA III (see The Experiments)
• hear academic talks from senior scientists
• hear industry talks from our sponsors/partners

At the end of the meeting, you will also have the chance to join a tour of the European XFEL Campus. If you intend to participate, please indicate so during registration. Note that you will need to get to the XFEL facilities by public transport as it is a bit outside the main DESY campus.

The registration fee of 60 € includes the tours and experiments at DESY, coffee breaks as well as lunch and BBQ on Thursday.

Deadline for registration is 22.08.23.

BCA CCG Autumn meeting 2022

Going beyond the data for chemical crystallographers

Registration for the Chemical Crystallography Group Autumn meeting is now live! The meeting will be held online on Wednesday 16^th November 2022. For details and registration, visit: https://www.eventbrite.co.uk/e/chemical-crystallography-group-autumn-meeting-2022-tickets-425715124397

The MLZ is delighted to host the Eighth European Conference on Neutron Scattering after successful events atÂ

• Interlaken 1996
• Budapest 1999
• Montpellier 2003
• Lund 2007
• Prag 2011Â
• Zaragoza 2015
• St. Petersburg 2019

The conference is organized on behalf of the European Neutron Scattering Association (ENSA) and is one of the most important scientific events in the field of neutron research.Â

The conference will take place at the TUM Department of Mechanical Engineering and the new Science Congress Center Munich - both located in the immediate vicinity of the MLZ at Garching.Â

After a warm Welcome on March 19th, we are looking forward to four days of thrilling talks, pleasant posters, and decent discussions of the European neutron scattering community between March 20th and 23rd!Â

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Conferences Series welcomes professional chemists, bioscience experience researchers, professors, scientific communities, delegates, students, business professionals and executives from all over the globe to attend the “18th European Organic Chemistry Congress”[Euro Organic Chemistry Conference 2022] that is to be organized during July 18-19, 2022 Amsterdam, Netherlands which incorporates prompt keynote presentations, oral talks, poster displays and exhibitions.

Euro Organic Chemistry 2022 is an international platform to debate and learn about new compounds and its structures, bonding, reactivity in field of chemistry and in organometallic chemistry, organic chemical science, biogeochemistry, marine chemical science, petroleum chemical science, bioorganic and medicinal chemistry, advancements in the fields of modern experimental chemistry, modern analytical chemistry, modern theoretical chemistry, combinatorial chemistry, flow chemistry, microwave chemistry, green chemistry, spectroscopy, new synthetic ways and advances in catalysis.