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175 materials found

SasView: Analysis of SAS Data

This course will demonstrate how to approach small-angle scattering (SAS) data analysis. In Section 1 you will familiarise yourself with:  - The format of reduced data  - How to use standard plots to extract information from experimental data  - How to calculate scattering length densities...

Keywords: small-angle scattering, reduced data, scattering length densities, SasView, polydispersity, SAS, data analysis, SLD, interparticle interaction

Resource type: Moodle course, e-learning

SasView: Analysis of SAS Data https://pan-training.eu/materials/sasview-analysis-of-sas-data This course will demonstrate how to approach small-angle scattering (SAS) data analysis. In Section 1 you will familiarise yourself with:  - The format of reduced data  - How to use standard plots to extract information from experimental data  - How to calculate scattering length densities (SLD). In Section 2 you will familiarise yourself with the basic use of SasView. In Section 3, you will  analyse SAS test data with SasView software and see the effects of:  - Polydispersity  - Resolution  - Interparticle interaction. Section 4 and 5 are optional and will lead you through simultaneous fitting and P(r) analysis. Software for this session: SasView 5.0.4. General introduction to SasView from Linxs webinar: Video - Small Angle Scattering Data Analysis with SasView. Agenda: 9:00 – 9:10 Introduction to Lab Session 9:10 – 9:20 Introduction to Section 1 9:20 – 11:30 Work on Sections 1, 2 and 3  - break-out rooms 11:30 – 13:30 Lunch break/catch up 13:30 – 15:30: Sections 4 and 5/Own data/AtSAS/Other problems - break-out rooms if needed 15:30 – Wrap-up small-angle scattering, reduced data, scattering length densities, SasView, polydispersity, SAS, data analysis, SLD, interparticle interaction
SasView: For developers and new contributors

No short description available.

Keywords: SasView

Resource type: Moodle course, e-learning

SasView: For developers and new contributors https://pan-training.eu/materials/sasview-for-developers-and-new-contributors No short description available. SasView
Erik Knudsen's Course

Course on X-ray scattering at the DanMAX beamline of MAX IV.

Keywords: DanMAX, MAX IV

Resource type: Moodle course, e-learning

Erik Knudsen's Course https://pan-training.eu/materials/erik-knudsen-s-course Course on X-ray scattering at the DanMAX beamline of MAX IV. DanMAX, MAX IV
Creating a Video Mini-Lecture

We recommend Open Broadcasting Software (OBS) as a great way to record yourself giving a presentation or lecture. It has more flexibility and results in a higher quality video than simply recording your screen on zoom/skype. It is easy to install and much easier to use than any video editing...

Keywords: open broadcasting software, video editing software

Resource type: Moodle course, e-learning

Creating a Video Mini-Lecture https://pan-training.eu/materials/creating-a-video-mini-lecture We recommend Open Broadcasting Software (OBS) as a great way to record yourself giving a presentation or lecture. It has more flexibility and results in a higher quality video than simply recording your screen on zoom/skype. It is easy to install and much easier to use than any video editing software. Use the following four resources to help you: 1. [Introduction to OBS](https://e-learning.pan-training.eu/moodle/mod/resource/view.php?id=1754) and how it can be used.  2. Tips for good [video layout](https://e-learning.pan-training.eu/moodle/mod/resource/view.php?id=1753) (this is useful regardless of whether you chose to use OBS). 3. Links to [OBS download instructions](https://e-learning.pan-training.eu/moodle/mod/page/view.php?id=1738) for Mac, Windows and Linux. 4. How you could include [live annotations](https://e-learning.pan-training.eu/moodle/mod/page/view.php?id=1739) or a blackboard style presentation with OBS open broadcasting software, video editing software
Including Jupyter Notebooks in your Course

As a teacher, you can link a JupyterHub instance to your course that runs on our e-learning servers.The JupyterHub instance runs as a docker container that is launched when a student clicks on the link. The container will clone your chosen github repository where you can edit and store Jupyter...

Keywords: jupyter notebooks, docker container, moodle, e-teaching

Resource type: Moodle course, e-learning

Including Jupyter Notebooks in your Course https://pan-training.eu/materials/including-jupyter-notebooks-in-your-course As a teacher, you can link a JupyterHub instance to your course that runs on our e-learning servers.The JupyterHub instance runs as a docker container that is launched when a student clicks on the link. The container will clone your chosen github repository where you can edit and store Jupyter notebooks.Students will be able to open these Jupyter notebooks and execute them remotely. Crucially students do not require Jupyter to be installed on their computers or have prior knowledge of python. Examples where this might be useful: - Show students how to reduce and analyse experimental data themselves using python. - Introduce students to python modules or software used in data reduction and analysis. - Allow students to virtually explore large scale facility instruments. For example by using McStas (neutron instrument simulator). - Teach students data modelling and simulation techniques that use python. Requirements: What the student will interact with must be in the form of a Jupyter notebook. Your notebooks must be on a public github repository. Note that the entire repository you provide will be cloned not just selected notebooks. However it does not have to be the master branch. Our containers already include common scientific python modules such as numpy, matplotlib and ipython. In addition we have containers with the following software installed: 1. McStas, McXtrace, SCIPP, SasVIew 2. Crispy 3. SimEx If you require a container with other software to be installed it is possible to have a custom container created. Please email admin@pan-learning.org for help.  Useful Links: - [Jupyter notebooks](https://jupyter.org/) - [What is a docker container](https://www.docker.com/resources/what-container)? (and the [wiki page](https://en.wikipedia.org/wiki/Docker_(software))) - [Docker and Jupyterhub](https://hub.docker.com/r/jupyterhub/jupyterhub/#help-and-resources) If you wish to include a link to a Jupyterhub container for your course. Please fill the form: Information to set up your container Once you have filled in the form you will receive an email to let you know the JupyterHub link is being set up and any further instructions that are required. Please note it may take a few days to be up and running. jupyter notebooks, docker container, moodle, e-teaching
Quasi-Elastic Neutron Scattering

This module is divided into 10 sections. First nine will teach you about QENS instruments and theory. A case study is presented in the last section. Estimated Completion Time: 1 Hour

Resource type: Moodle course, e-learning

Quasi-Elastic Neutron Scattering https://pan-training.eu/materials/quasi-elastic-neutron-scattering This module is divided into 10 sections. First nine will teach you about QENS instruments and theory. A case study is presented in the last section. Estimated Completion Time: 1 Hour
Python Workshop (IKON20)

THIS IS THE PREVIOUS IKON PYTHON COURSE FROM MARCH 2021 - The new one can be found [here](https://pan-learning.org/moodle/course/view.php?id=89) AS OF 16/09/2021 THERE IS AN ISSUE WITH THE LINK - THIS WILL BE FIXED SOON This course has something for all levels of python and is split into 7...

Keywords: data analysis library pandas, jupyter, Python, numpy, matplotlib, Ipywidgets, scipy, mcstas script

Resource type: Moodle course, e-learning

Python Workshop (IKON20) https://pan-training.eu/materials/python-workshop-ikon20 THIS IS THE PREVIOUS IKON PYTHON COURSE FROM MARCH 2021 - The new one can be found [here](https://pan-learning.org/moodle/course/view.php?id=89) AS OF 16/09/2021 THERE IS AN ISSUE WITH THE LINK - THIS WILL BE FIXED SOON This course has something for all levels of python and is split into 7 sections. The first four contain a set of jupyter notebooks that are designed to be worked through individually. You are encouraged to pick and choose which sections you are interested in. The other three contain notebooks to help you learn how to use python based McStas script and SCIPP along with an extra module with an example of Covid data anlysis.  1. Jupyter basics: Jupyter notebook introduction. 2. Python basics:  Basic language principles,  Sequence data types,  Control structures,  Working with functions,  Using modules,  Input and output,  Python 2 vs 3,  Python classes. 3. Using external Libraries:  Scientific libraries numpy,  Plotting with matplotlib,  Ipywidgets,  Fitting scipy,  Data analysis library pandas,  Testing. 4. Molecular visualization:  Visualization tutorial,  Atomistic simulation environment. 5. McStas script 6. Extras 7. SCIPP The notebooks can accessed and run via the Jupyter hub link. A new window will open, which will ask you to Start My Server. You can then chose which environment you would like to use (Basic Jupyter with McStas or Jupyter with SCIPP). Note that both include all the notebooks. To access the notebooks please navigate to python-course-ikon > notebooks. This course was created by the Data Reduction, Analysis and Modelling Group of the ESS. This version of the course was specifically created for IKON20 in March 2021. data analysis library pandas, jupyter, Python, numpy, matplotlib, Ipywidgets, scipy, mcstas script
Introduction to X-ray fluorescence (XRF)

Introduction to NMR analysis is a short introductory course intended for Bachelor's and Master's students of chemistry. It has been designed and is curated by Primož Šket (National Institute of Chemistry, Slovenia) and Aljoša Hafner (CERIC-ERIC, Italy). Course duration is approximately 45...

Keywords: small molecule liquid nmr analysis, liquid nmr sample preparation, NMR analysis

Resource type: Moodle course, e-learning

Introduction to X-ray fluorescence (XRF) https://pan-training.eu/materials/introduction-to-nmr-analysis Introduction to NMR analysis is a short introductory course intended for Bachelor's and Master's students of chemistry. It has been designed and is curated by Primož Šket (National Institute of Chemistry, Slovenia) and Aljoša Hafner (CERIC-ERIC, Italy). Course duration is approximately 45 min. The main goal of the course is to gain knowledge on how to perform small molecule liquid NMR analysis 1H and 13C, going from the experiment to the empirical chemical formula. The following competences will be achieved: Basic theoretical background is presented Key components to liquid NMR sample preparation (isotopic labeling, solvent exchange, size) Interactive work on 1D spectra of various compounds (e. g.CH3COOH , C2H4O2) Determining the empirical chemical formula from measured spectra Key resources: https://www.nmrdb.org/new_predictor/index.shtml?v=v2.121.0 small molecule liquid nmr analysis, liquid nmr sample preparation, NMR analysis
Introduction to X-ray Spectroscopy Calculations

In this module, you will learn about calculations of X-ray spectra using various flavours of multiplet theory.

Keywords: multiplet theory

Resource type: Moodle course, e-learning

Introduction to X-ray Spectroscopy Calculations https://pan-training.eu/materials/introduction-to-x-ray-spectroscopy-calculations In this module, you will learn about calculations of X-ray spectra using various flavours of multiplet theory. multiplet theory
Materials science in the virtual neutron facility

This short course allows you to investigate the properties of a rehargeable battery by neutron experiments at a virtual neutron faclity. Specifically you will investigate the various component of the battery by imaging, diffraction and quasi-elastic neutron scattering through  a learning game.The...

Keywords: virtual neutron facility, material science, rechargeable battery, imaging, diffraction, quasi-elastic neutron scattering, neutron experiments

Resource type: Moodle course, e-learning

Materials science in the virtual neutron facility https://pan-training.eu/materials/materials-science-in-the-virtual-neutron-facility This short course allows you to investigate the properties of a rehargeable battery by neutron experiments at a virtual neutron faclity. Specifically you will investigate the various component of the battery by imaging, diffraction and quasi-elastic neutron scattering through  a learning game.The game was developed as a collaboration between Labster and  the group of Linda Udby at Niels Bohr Institite, University of Copenhagen. The development of the game was made possible by a grant in the Education 2016 project of University of Copenhagen. virtual neutron facility, material science, rechargeable battery, imaging, diffraction, quasi-elastic neutron scattering, neutron experiments
MDANSE 2021

No short description available.

Resource type: Moodle course, e-learning

MDANSE 2021 https://pan-training.eu/materials/mdanse-2021 No short description available.
Quasielastic Neutron Scattering Course (1st iteration)

No short description available.

Keywords: QENS, neutron

Resource type: Moodle course, e-learning

Quasielastic Neutron Scattering Course (1st iteration) https://pan-training.eu/materials/quasielastic-neutron-scattering-course-1st-iteration No short description available. QENS, neutron
Neutron Scattering - KU 2020

In this course you will learn about the basic techniques used to perfrom experiments in neutron scattering. Neutron scattering requires large scale facilities, and beam time is expensive. The overall aim of this introductory course is to put you in a better position to work with and make...

Keywords: neutron scattering

Resource type: Moodle course, e-learning

Neutron Scattering - KU 2020 https://pan-training.eu/materials/neutron-scattering-ku-2020 In this course you will learn about the basic techniques used to perfrom experiments in neutron scattering. Neutron scattering requires large scale facilities, and beam time is expensive. The overall aim of this introductory course is to put you in a better position to work with and make decisions pertaining to experiments at large scale facilities. The contents of this course is targeted for master level physics students and can be used as a fully online self-study course. neutron scattering
Introduction to Muon Spin Spectroscopy

Welcome to the course on muon spin spectroscopy. This course is made up of ten modules: ‘Cosmic Ray Muons’, ‘Different Types of μSR’, ‘Analysis Methods of μSR’, 'Studying Diffusion with Muon Spin Relaxation', ‘Muon Data Analysis using Mantid Workbench’, ‘Muon Data Analysis Using MantidPlot’,...

Keywords: muon spin spectroscopy, cosmic ray muons, muon spin relaxation, muon data analysis, data analysis

Resource type: Moodle course, e-learning

Introduction to Muon Spin Spectroscopy https://pan-training.eu/materials/introduction-to-muon-spin-spectroscopy Welcome to the course on muon spin spectroscopy. This course is made up of ten modules: ‘Cosmic Ray Muons’, ‘Different Types of μSR’, ‘Analysis Methods of μSR’, 'Studying Diffusion with Muon Spin Relaxation', ‘Muon Data Analysis using Mantid Workbench’, ‘Muon Data Analysis Using MantidPlot’, ‘Muesr’, ‘Using Maximum Entropy Analysis in Mantid’, ‘Analysing ALC Data in Mantid’ and ‘Muon Data Analysis Using WiMDA’. Within the Cosmic Ray Muons module you will learn the fundamentals of muons and their applications within a simple experiment. The Different Types of μSR module covers the principles and applications of the six variations of μSR, and Analysis Methods of μSR goes through the various ways the data from these experiments can be analysed. Within the Muon Data Analysis modules, you will learn basic data analysis of real experimental data using either the MantidPlot or WiMDA software. muon spin spectroscopy, cosmic ray muons, muon spin relaxation, muon data analysis, data analysis
Quiz Taster

This quiz has 5 questions on the basics of neutron science.

Resource type: Moodle course, e-learning

Quiz Taster https://pan-training.eu/materials/quiz-taster This quiz has 5 questions on the basics of neutron science.
Neutrons, X-rays and Positrons for studying microscopic structures and dynamics

In this course you will learn about the basic techniques used to perform experiments in neutron scattering. Neutron scattering requires large scale facilities, and beam time is expensive. The overall aim of this introductory course is to put you in a better position to work with and make...

Keywords: neutron scattering

Resource type: Moodle course, e-learning

Neutrons, X-rays and Positrons for studying microscopic structures and dynamics https://pan-training.eu/materials/neutrons-x-rays-and-positrons-for-studying-microscopic-structures-and-dynamics In this course you will learn about the basic techniques used to perform experiments in neutron scattering. Neutron scattering requires large scale facilities, and beam time is expensive. The overall aim of this introductory course is to put you in a better position to work with and make decisions pertaining to experiments at large scale facilities. The contents of this course is targeted for master level physics students and can be used as a fully online self-study course. neutron scattering
HERCULES

No short description available.

Resource type: Moodle course, e-learning

HERCULES https://pan-training.eu/materials/hercules No short description available.
Swedness Online 2021

The school is aimed as an introduction for starting Ph.D. students and covers an introduction to neutron scattering.This e-learning course is meant to be carried out in combination with classroom lectures in a blended learning setting.

Keywords: neutron scattering

Resource type: Moodle course, e-learning

Swedness Online 2021 https://pan-training.eu/materials/swedness-online-2021 The school is aimed as an introduction for starting Ph.D. students and covers an introduction to neutron scattering.This e-learning course is meant to be carried out in combination with classroom lectures in a blended learning setting. neutron scattering
e-neutrons for teachers

This set of manuals is intended to help developers/teachers on the e-neutrons portal make and improve online material that can be used for learning about neutron scattering. In sum, they represent both some of the experiences we have had with making online learning material for the e-neutrons...

Keywords: improve online material, making online learning material, digital learning, intended learning outcomes, assessment for learning

Resource type: Moodle course, e-learning

e-neutrons for teachers https://pan-training.eu/materials/e-neutrons-for-teachers This set of manuals is intended to help developers/teachers on the e-neutrons portal make and improve online material that can be used for learning about neutron scattering. In sum, they represent both some of the experiences we have had with making online learning material for the e-neutrons portal and the choices we have made regarding how to make an e-learning portal. Many of these choices differ from choices made when conducting massive open online courses (MOOCs).  Our design choices are based on educational research, and we pay a lot of attention to what the goals for the portal and for each learning activity are. In particular, we have used research literature on digital learning, on assessment for learning, and on intended learning outcomes. We seek to align our online activities and the way we assess them with intended learning outcomes. Since the goal for the portal is not to provide users with a formal set of papers on how well they have performed, we have chosen not to provide students with traditional summative assessment such as grading or other performance evaluators. Rather, we have chosen to focus on providing high quality feedback to facilitate that students engage as much as possible with the learning material. The e-neutrons portal itself is an object of ongoing e-learning. Thus, we actively use student interactions with the portal to investigate more broadly how this type of e-learning works. improve online material, making online learning material, digital learning, intended learning outcomes, assessment for learning
Small Angle Scattering Data Analysis using SasView

Small Angle Scattering Data Analysis using SasView

Resource type: Moodle course, e-learning

Small Angle Scattering Data Analysis using SasView https://pan-training.eu/materials/small-angle-scattering-data-analysis-using-sasview Small Angle Scattering Data Analysis using SasView
PaN-Training e-Learning

Welcome to the e-Learning platform This e-Learning platform hosts free education and training for scientists and students.Below you will find courses on both the theory of photon and neutron scattering and how to use python code or software for data reduction and modelling. List of available...

Keywords: -learning platform hosts free education

Resource type: Moodle course, e-learning

PaN-Training e-Learning https://pan-training.eu/materials/pan-training-e-learning Welcome to the e-Learning platform This e-Learning platform hosts free education and training for scientists and students.Below you will find courses on both the theory of photon and neutron scattering and how to use python code or software for data reduction and modelling. List of available courses. -learning platform hosts free education
Advanced Topics in Neutron Scattering

This course covers "Advanced Topics in Neutron Scattering".  The modules are stand-alone so you can take one or all and in any order you choose. Self-enrolment in this course is allowed. We recommend that you complete the introductory course on neutron scattering before attempting to follow...

Keywords: neutron scattering, neutron

Resource type: Moodle course, e-learning

Advanced Topics in Neutron Scattering https://pan-training.eu/materials/advanced-topics-in-neutron-scattering This course covers "Advanced Topics in Neutron Scattering".  The modules are stand-alone so you can take one or all and in any order you choose. Self-enrolment in this course is allowed. We recommend that you complete the introductory course on neutron scattering before attempting to follow this modules in this course. neutron scattering, neutron
Introduction to Neutron Scattering

Neutron scattering.

Keywords: neutron scattering, neutron

Resource type: Moodle course, e-learning

Introduction to Neutron Scattering https://pan-training.eu/materials/introduction-to-neutron-scattering Neutron scattering. neutron scattering, neutron
Neutron Scattering Library

Learning material used for courses in e-neutrons.org Links to Databases & Multimedia learning tools Reviews and Handbooks. List of different schools (recordings or learning material).

Keywords: neutron scattering, neutron

Resource type: Moodle course, e-learning

Neutron Scattering Library https://pan-training.eu/materials/neutron-scattering-library Learning material used for courses in e-neutrons.org Links to Databases & Multimedia learning tools Reviews and Handbooks. List of different schools (recordings or learning material). neutron scattering, neutron
The Wolter optics based neutron microscope

Imaging with neutrons has seen strong development in the past two decades, driven by the rapid improvements in digital cameras and the ability to use the properties of the neutron to generate a variety of image contrasts. This webinar will give an overview of the start of the NIST neutron imaging...

Keywords: neutron, Neutron imaging, neutron microscopy, Wolter optics

Resource type: video

The Wolter optics based neutron microscope https://pan-training.eu/materials/the-wolter-optics-based-neutron-microscope Imaging with neutrons has seen strong development in the past two decades, driven by the rapid improvements in digital cameras and the ability to use the properties of the neutron to generate a variety of image contrasts. This webinar will give an overview of the start of the NIST neutron imaging program and how measurements have been augmented with a simultaneous X-ray source. Discussion will focus on the current state of the art in neutron microscopy, and the outlook for the field with the nearly completed first neutron equivalent to Hooke’s microscope with lens based on Wolter optics. neutron, Neutron imaging, neutron microscopy, Wolter optics
Neutrons for Magnetic Nanostructures on Surfaces: Beyond the Specular Intensity Wars

Polarized Neutron Reflectometry (PNR) is a great method to study magnetism of surface near structures on the nm scale. It is especially useful for functional materials and fundamentals of nano magnetism. The applications of the technique and the related grazing incidence scattering include...

Scientific topics: polarized neutron reflectometry, grazing incidence small angle neutron scattering

Keywords: polarized neutron reflectometry, grazing incidence scattering, magnetic nanoparticles, GISANS

Resource type: video, slides

Neutrons for Magnetic Nanostructures on Surfaces: Beyond the Specular Intensity Wars https://pan-training.eu/materials/neutrons-for-magnetic-nanostructures-on-surfaces-beyond-the-specular-intensity-wars Polarized Neutron Reflectometry (PNR) is a great method to study magnetism of surface near structures on the nm scale. It is especially useful for functional materials and fundamentals of nano magnetism. The applications of the technique and the related grazing incidence scattering include multiferroic heterostructures, correlated electron systems, exchange bias, superconductors, magnetic nanoparticles and spin textures like skyrmions. Many of these systems have in common that the sample sizes are small, leading to intensity limited experiments. [...] polarized neutron reflectometry grazing incidence small angle neutron scattering polarized neutron reflectometry, grazing incidence scattering, magnetic nanoparticles, GISANS
Neutrons4Science: Enter the world of neutrons! Just be curious!

Enter the world of neutrons! They are a powerful and highly acclaimed tool not only for the study of condensed matter (the world we live in) but also for confirming our current understanding of physics. What's more, you don't even need to be a scientist to use Neutrons4Science. Just be...

Keywords: neutron, ILL ThALES, neutron spectrometer, Magnons, gravitational spectrometer, GRANIT

Resource type: tool

Neutrons4Science: Enter the world of neutrons! Just be curious! https://pan-training.eu/materials/neutrons4science-enter-the-world-of-neutrons-just-be-curious Enter the world of neutrons! They are a powerful and highly acclaimed tool not only for the study of condensed matter (the world we live in) but also for confirming our current understanding of physics. What's more, you don't even need to be a scientist to use Neutrons4Science. Just be curious! Neutrons and protons are elementary particles constituting the nucleus of atoms. The neutron has no electric charge but has a spin and a magnetic moment. Neutron beams - like beams of X-rays, electrons or muons - are valuable tools for studying the multitude of materials that surround us in our daily lives (alloys, magnets, superconductors, polymers, colloids, proteins, biological systems, …). However, the way neutrons interact with matter is quite unique and, as a result, it can often reveal to us what is normally hidden. With Neutrons4Science you can discover one of the many types of neutron spectroscopy. The neutron also answers questions on the very foundations of physics, helping us to solve some of the great mysteries of the universe (Is the Grand Unified Theory valid? Is there a fifth fundamental force? ...) As an example, Neutrons4Science gives you insights to a brand new method of neutron spectroscopy that takes advantage of the quantum states of this light neutral particle. Neutrons4Science lets you experience neutron science through three interactive 3D animations: • ThALES: Use a neutron spectrometer (ILL ThALES) as if you were performing a real experiment. • Magnons: Discover the spin waves that exist inside magnetic materials and understand how ThALES can observe them. • GRANIT: Discover an innovative gravitational spectrometer (ILL GRANIT) based on neutron quantum states in a gravitational field. These three educational animations were developed with the help of scientists at the "Institut Laue-Langevin", one of the world's flagship facilities for neutron science. This project was funded by the ILL and the LPSC and developed by Ipter (out of business since 2015). neutron, ILL ThALES, neutron spectrometer, Magnons, gravitational spectrometer, GRANIT general public
vDiffraction: A serious game about diffraction and crystals

#### This game is a fun way to discover the world of crystals and their symmetries through diffraction. Crystals are all around us: in our environment (rocks and minerals, etc), in our bodies (sugar, bones, gallstones, etc.) and in technology (metals and alloys, silicon and quartz used for...

Scientific topics: crystallography

Keywords: game, diffraction, crystal diffraction, software

Resource type: game

vDiffraction: A serious game about diffraction and crystals https://pan-training.eu/materials/vdiffraction-a-serious-game-about-diffraction-and-crystals #### This game is a fun way to discover the world of crystals and their symmetries through diffraction. Crystals are all around us: in our environment (rocks and minerals, etc), in our bodies (sugar, bones, gallstones, etc.) and in technology (metals and alloys, silicon and quartz used for microelectronics, etc.). By successively discovering the diffraction of X-rays, neutrons and electrons, scientists in the twentieth century threw the door to the microscopic world wide open by demonstrating that crystals are made ​​up of atoms and molecules and explaining their structure. Crystals are characterised by the fact that their constituents are arranged in a highly ordered structure. This internal order and its symmetry is clearly visible in the diffraction patterns produced by any crystal. It is this symmetry which is also gives crystals their often amazing shapes, making them highly prized by rockhounds. Whether you are a senior scientist, a student, or just curious about science, vDiffraction is a serious game that will let you try your hand at crystal diffraction so that you can begin to understand how scientists identify the symmetry characteristics of a crystal. This is the first, crucial step towards understanding the atomic and molecular structure of a crystalline material, in other words what type of atoms and molecules make up the crystal and how they are organised. crystallography game, diffraction, crystal diffraction, software
Machine learning in electronic-structure theory

Machine Learning approaches are increasingly being used across many fields of science, with electronic structure theory being no exception. They offer novel approaches to age-old problems. In recent years they have been used in construction of trial wavefunctions, in computing Hamiltonians, and...

Keywords: machine learning, electronic-structure theory

Resource type: video

Machine learning in electronic-structure theory https://pan-training.eu/materials/machine-learning-in-electronic-structure-theory Machine Learning approaches are increasingly being used across many fields of science, with electronic structure theory being no exception. They offer novel approaches to age-old problems. In recent years they have been used in construction of trial wavefunctions, in computing Hamiltonians, and in direct calculation of properties and forces. These methods are highly versatile and computationally efficient, yet many questions regarding their interpretability and ability to extrapolate information remains unanswered. How are they being used in electronic structure theory today, and how do they fit into the bigger picture? Would electronic structure theory have looked anything different if it was conceived in the age of machine learning? This seminar seeks to answer these kinds of questions, and was originally given as a trial lecture at the Hylleraas Centre of Quantum Molecular Sciences at the University of Oslo. machine learning, electronic-structure theory
Seeing the chemistry in biology using neutron crystallography

New developments in macromolecular neutron crystallography have led to an increasing number of structures published over the last decade. Hydrogen atoms, normally invisible in most X-ray crystal structures, become visible in neutron structures. Using X-rays allows one to see structure, while...

Keywords: macromolecular neutron crystallography, biological macromolecules, neutron

Resource type: video, slides, scientific article

Seeing the chemistry in biology using neutron crystallography https://pan-training.eu/materials/seeing-the-chemistry-in-biology-using-neutron-crystallography New developments in macromolecular neutron crystallography have led to an increasing number of structures published over the last decade. Hydrogen atoms, normally invisible in most X-ray crystal structures, become visible in neutron structures. Using X-rays allows one to see structure, while neutrons allow one to reveal the chemistry inherent in these macromolecular structures. A number of surprising and sometimes controversial results have emerged from recent neutron structures; because it is difficult to see or predict hydrogen atoms in X-ray structures, when they are seen by neutrons they can be in unexpected locations with important chemical and biological consequences. Here we describe examples of chemistry seen with neutrons for the first time in biological macromolecules over the past few years. macromolecular neutron crystallography, biological macromolecules, neutron