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: 26th Sept 2023, 10:57:11am CEST

Session Overview
School - Computing: Crystallographic Computing School
Wednesday, 01/Sept/2021:
2:00pm - 8:00pm

Session Chair: Martin Lutz
Session Chair: Claudia Millán
Location: virtual

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.

Session Abstract

14:00 - 15:00h (CEST) time

Alexandre Ourjoumtsev Opening lecture (40 min)

15:00 h -19:00 h (CEST) time

CrystHack (Tutorials and Programming tasks). Schedule to be confirmed

19:00 - 20:00 h (CEST) time

Parallel lectures (40 min):

Massimo Sammito - Graph Theory and Graph Algorithms (with practical Colab Notebook)

Thomas White - Describing transformations and symmetry in reciprocal space, clustering reflection data, and writing parsers the (mostly) painless way

20:00h - 21:00h  (CEST) time

Social program - Surprise

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