Fundamentals of Crystallography: Theory and Practice

 The Caribbean Regional X-ray Science Toward Advancement Laboratory (crXstal) was established in October 2024 in the Department of Chemistry, Faculty of Science and Technology at The University of the West Indies, Mona, Jamaica, as a regional hub dedicated to capacity building in X-ray crystallography through education and research. Its primary objectives are: 1) to teach X-ray crystallography through short courses, training schools and outreach activities aimed at popularizing the technique especially among youth; 2) to facilitate cutting-edge research that address regional challenges and position the Caribbean as a global leader in innovation and 3) crXstal is presently equipped with a Bruker D8 Quest Eco single-crystal diffractometer and an Oxford Diffraction cryostat.

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Topics to be covered: Symmetry in crystals. Lattices, unit cells, point groups and space groups. Diffraction of X-rays by crystals. Bragg’s Law. The reciprocal lattice and the Ewald Sphere. Systematic absences, structure factors and electron densities. Use of the International Tables for Crystallography Vol. A. Crystal growth techniques. Crystal selection and mounting. Data collection and reduction. Structure solution and refinement. Structural analysis and reporting â€" molecular graphics and the CIF file. Use of various software packages for structure solution, refinement and display. Structure validation and publication. The Cambridge Structural Database. Introduction to crystallography using synchrotron radiation. Examples of applications of single crystal X-ray diffraction. The programme will include hands-on sessions on the Bruker D8 ECO Quest so students will have the opportunity to collect their own data and solve the structures.

Target Audience: Postgraduate students and researchers/ faculty members from any university, and Industry persons in a STEM discipline.Â

Pre-course Requirement: A voluntary, online two-day pre-course will be held one week before the start of the school with the aim of levelling the background. It will cover basic principles of symmetry and linear algebra with exercises.

Modality: Face-to-Face

Cost: USD 700 (excludes accommodation, airfare, and local travel to and from airport)

Lecturers:

• Â Andrea Araya-Sibaja, LANOTEC, Costa Rica (F)
• Â Christopher Cahill, George Washington University, USA (M)
• Â Javier Alcides Ellena, University of Sao Paulo, Brazil (M)
• Â Ilaria Gimondi, CCDC, UK (F)
• Â Lucia Maini, University of Bologna, Italy (F)
• Â Marvadeen Singh-Wilmot, University of the West Indies (F)
• Â Leopoldo Suescun, University of Montevideo, Uruguay (M)
• Â Serena C. Tarantino, University of Pavia, Italy (F)
• Â Suzanna Ward, CCDC, UK (F)
• Â Michele Zema, University of Bari, Italy (M)
• Â Application scientist, Bruker AXS, USA, to be nominated

Tutors/Lab Assistants:

• Â Jermaine Smith (M), PhD candidate, The UWI, Mona, Jamaica
• Â Dr. Zeyar Min (M), Lecturer, UTech, Kingston, Jamaica.

The ESRF/ILL International Student Summer Programme on X-Ray and Neutron Science is aimed at undergraduate students. It consists of a 4-week course including an extensive experimental project embedded in a research group of ESRF or ILL, preceded by a series of introductory lectures on the principles and applications of X-ray and neutron science (magnetism, materials science, soft matter, structural biology, imaging, etc.) and followed by presentations of students' experimental projects.

Program Day 2

Some new and established metrics in greater detail: mean value of weighted residuals, agreement factor gap for small molecules, errors caused by SHELXL-like weighting scheme, software dependent errors.

at 14:00 CET

Program Day 1 (12th of March 2025)

Basic concepts and principles of data quality evaluation. Mathematical background. New metrics and their applications; The need to evaluate evaluation processes as well, rewarding errors with practical examples, established misconceptions, metrics as an environment for survival of the fittest data sets, adaptions and evolution processes in data quality evaluation. Challenges for overall progress in the field. Influence of metrics on decision making in crystallographic experiments.

There will be a follow workshop:

Program Day 2 (19th of March 2025)

Some new and established metrics in greater detail: mean value of weighted residuals, agreement factor gap for small molecules, errors caused by SHELXL-like weighting scheme, software dependent errors.

On both days at at 14:00 CET.

We are excited to invite you to the 75th Annual Meeting of the American Crystallographic Association, to be held in Lombard, Illinois from July 18-23, 2025. This milestone event promises to bring together experts, researchers, and enthusiasts from across the globe to celebrate advancements in the field of crystallography. Join us for a week of engaging sessions, cutting-edge scientific presentations, and vibrant networking opportunities in the heart of Lombard. Whether you're a seasoned crystallographer or new to the field, this meeting offers something for everyoneâ€"let's come together to explore, learn, and shape the future of structural science!

The Polish Crystallographic Meeting, Scientific Workshop and Session of the Young Crystallographers Sections of PCrA will be held at the Institute of Low Temperature and Structure Research of the Polish Academy of Sciences, ul. Okólna 2 in Wrocław.

The Workshop is devoted to selected issues and problems of modern crystallography.

The Scientific Session of the Young Crystallographers Section of PCrAÂ is a forum for exchanging experiences addressed primarily to students, PhD students and young doctors (maximum 5 years after defense).

The topics of the Meeting include basic and applied research on the ideal and real structure of crystals carried out with the use of X-ray radiation obtained both with traditional methods and in synchrotrons, research with the use of neutrons and electrons, problems of symmetry, phase transformations and crystal growth, new research and computational methods and all other aspects of crystallography. The conference is an annual meeting place and a forum for exchanging ideas of all Polish crystallographers.

During the inauguration of the 66th Polish Crystallography Meeting, the winners of the 6th National Crystallography Olympiad will be decorated: http://olimpiadakrystalograficzna.pl.

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Abstract Deadline:Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â

mid-February 2026

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Topics:Â

Approximately 150 meetings covering the fields of COSPAR Scientific Commissions (SC), Panels, and Task Groups:

- SC A:Â The Earth's Surface, Meteorology and Climate

- SC B:Â The Earth-Moon System, Planets, and Small Bodies of the Solar System

- SC C:Â The Upper Atmospheres of the Earth and Planets Including Reference Atmospheres

- SC D:Â Space Plasmas in the Solar System, Including Planetary Magnetospheres

- SC E:Â Research in Astrophysics from Space

- SC F:Â Life Sciences as Related to Space

- SC G:Â Materials Sciences in Space

- SC H:Â Fundamental Physics in Space

- Panel on Satellite Dynamics (PSD)

- Panel on Scientific Ballooning (PSB)

- Panel on Potentially Environmentally Detrimental Activities in Space (PEDAS)

- Panel on Radiation Belt Environment Modelling (PRBEM)

- Panel on Space Weather (PSW)

- Panel on Planetary Protection (PPP)

- Panel on Capacity Building (PCB)

- Panel on Education (PE)

- Panel on Exploration (PEX)

- Panel on Interstellar Research (PIR)

- Panel on Innovative Solutions (PoIS)

- Panel on Social Sciences and the Humanities (PSSH)

- Panel on IDEA (Inclusion, Diversity, Equity, and Accessibility) (PIDEA)

- Panel on Establishing a Constellation of Small Satellites (PCSS)

- Panel on Machine Learning and Data Science (PMLDS)

- Task Group on Establishing an International Geospace Systems Program (TGIGSP)

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Selected papers published in Advances in Space Research and Life Sciences in Space Research, fully refereed journals with no deadlines open to all submissions in relevant fields.

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Abstract Deadline:Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â Â

4 April 2025

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Various sessions organized under the themes:Â

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- Humanity's Challenges and the Potential of Space

- Space as a Unifying Force: Fostering International Collaboration

- Space Tech for Earth and Beyond: Innovation, AI, and Sustainable Solutions

- The Ethics of Exploration: Responsible and Inclusive Space Endeavours

- Capacity Building, CubeSats and Outreach Event

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Selected papers published in Advances in Space Research and Life Sciences in Space Research, fully refereed journals with no deadlines open to all submissions in relevant fields.

 At the XXV Congress and General Assembly of the International Union of Crystallography in Prague, it was decided that the 35th edition of the European Crystallographic Meeting would be held in Lviv, Ukraine, in 2025.

 Unfortunately, there is a war in Ukraine, and it is not reasonable to organize a great scientific event in Lviv in 2025. An alternative was thus elaborated where, thanks to a collaboration between the Ukrainian Crystallographic Committee and the Polish Crystallographic Association, the conference site will be Poznan, a city in neighbouring Poland.

Quantum crystallography (QCr) is a rapidly developing field that combines theory with experiment to understand the fundamental behavior of matter at the atomic and molecular levels. It offers the determination of molecular or crystalline structure with a quality exceeding that obtained by traditional methods of X-ray or electron crystallography. By enriching structural information with a wealth of electronic and bonding information, QCr significantly contributes to rational drug design and engineering of new materials. During this school, we will provide an accessible and in-depth education in quantum mechanics and related semi-empirical methods, tailored to provide a solid foundation in understanding materials structure, physicochemical properties, and the response of materials to physical changes and experimental probes. The theoretical foundations of crystallographic experiments will be briefly recalled, and the methodology of data collection and analysis for quantum crystallography methods will be presented and trained in detail. Speakers at this school will go beyond just theoretical calculations, to demonstrate the deep interplay between theory and experiment: for example, by showing how experimental observations could be used to restrain or constrain first-principles calculations or otherwise showing how calculations could improve the interpretation of an experimental result. In keeping with this overall aim, the synergy between theoretical and experimental areas will be highlighted to provide a holistic view of the different fields in Quantum Crystallography. This area of knowledge is going through an important boost in the last years, thanks to new coupled approaches and new communities getting in touch with each other. This school will bring together students from these two communities, feeding this new area of knowledge and letting interdisciplinary grow among the students. Workshops will provide hands-on tutorials on the use and development of software related to the topics, including the development of required input data, and using case studies. Additionally, the school will benefit from the synergy with the Electron Crystallography School running in parallel, with several lectures shared between the two schools. This will offer a unique opportunity to explore interdisciplinary applications of crystallography in quantum science and structural research.

Networking in-person event, featuring experimental and computational approaches in crystallography and, more broadly, in materials science.

Quantum crystallography (QCr) is a rapidly developing field that combines theory with experiment to understand the fundamental behavior of matter at the atomic and molecular levels. It offers the determination of molecular or crystalline structure with a quality exceeding that obtained by traditional methods of X-ray or electron crystallography. By enriching structural information with a wealth of electronic and bonding information, QCr significantly contributes to rational drug design and engineering of new materials.
During this school, we will provide an accessible and in-depth education in quantum mechanics and related semi-empirical methods, tailored to provide a solid foundation in understanding materials structure, physicochemical properties, and the response of materials to physical changes and experimental probes. The theoretical foundations of crystallographic experiments will be briefly recalled, and the methodology of data collection and analysis for quantum crystallography methods will be presented and trained in detail. Speakers at this school will go beyond just theoretical calculations, to demonstrate the deep interplay between theory and experiment: for example, by showing how experimental observations could be used to restrain or constrain first-principles calculations or otherwise showing how calculations could improve the interpretation of an experimental result.
In keeping with this overall aim, the synergy between theoretical and experimental areas will be highlighted to provide a holistic view of the different fields in Quantum Crystallography. This area of knowledge is going through an important boost in the last years, thanks to new coupled approaches and new communities getting in touch with each other. This school will bring together students from these two communities, feeding this new area of knowledge and letting interdisciplinary grow among the students.
Workshops will provide hands-on tutorials on the use and development of software related to the topics, including the development of required input data, and using case studies.
Additionally, the school will benefit from the synergy with the Electron Crystallography School running in parallel, with several lectures shared between the two schools. This will offer a unique opportunity to explore interdisciplinary applications of crystallography in quantum science and structural research.

Lecture 40:    "Joint refinement of diffraction data (but not only): a short story" by Nicolas Claiser (Université de Lorraine, France)

Lecture 41:   ''Chirality and magnetic symmetry" by Huibo Cao (Oak Ridge National Laboratory, USA)

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The ISXB series of symposium aim to bring together researchers from all over the world who are interested in the fascinating phenomenon of halogen bonding and related interactions, from fundamental principles to applied technologies, covering both experimental and theoretical approaches in various areas of research ranging from advanced materials to medicinal chemistry and chemical biology.

The ISXB6 will feature keynote addresses and invited lectures by internationally renowned experts, contributed presentations, posters, and flash communications by young and promising researchers. The Symposium will also provide ample opportunities for networking and socializing in a friendly and stimulating atmosphere.

It will be held in Dubrovnik, Croatia, from October 20-25, 2024. The symposium will take place at the Sheraton Dubrovnik Riviera Hotel, a modern resort located in a secluded beachfront location in the vicinity of the Dubrovnik Old Town.

Crystallographers from different countries will meet at the annual Croatian-Slovenian (Slovenian-Croatian) crystallographic meeting to present their work and exchange ideas in multiple areas of research involving crystallography. The 30th consecutive meeting is organized jointly by the Croatian Crystallographic Association, Faculty of Chemistry and Chemical Technology and the University of Ljubljana under the auspices of the Department of Mathematical, Physical and Chemical Sciences of the Croatian Academy of Sciences and Arts.

The official language of the meeting is English.

There is NO registration fee.

LACA is a young scientific association that nucleates a very diverse community studying structural sciences in Latin America. The LACA meeting was previously held in Brazil (2015), Mexico (2016), Chile (2018), Colombia (2019) and Costa Rica (2022) after its foundation in Argentina (2013).

The Committees are working on putting together an exciting program that will allow discussions on the latest developments in structural sciences in the continent and some dedicated talks on what is coming in the field in the near future.

Microsymposia topics

Crystal engineering

Materials for energy

State-of-the-art methods in structural biology

Medicinal chemistry

Neutron and synchrotron radiation

SAXS

Characterization of minerals, applications in the study of heritage and industrial applications of X-ray techniques

Structural microbiology

Functional materials

General Interest Session

Crystallography education and engagement

The Focus Theme of InterPore2024 will be “porous media and biology.” This includes occurrence and applications of biology in living organs, plants, and in medicine, as well as in soil, oil and gas reservoirs. It will include theories and (bio)physics, experiments, imaging, mathematics, and modelling.