diff --git a/intro.md b/intro.md index df85e7e41d28e14bbdd7753b6cb34990e3dcef51..6893c02199ea6a6ccc31ce694855a05d67b7be4a 100644 --- a/intro.md +++ b/intro.md @@ -6,5 +6,8 @@ Today the computation of large numbers of DFT data are becoming a routine task, At the three-day workshop we will provide tutorials and hands-on classes that cover the complete chain from high-throughput electronic structure calculations to the computation of phase diagrams. Day 1 will focus on automated workflows for the generation of DFT data. On day 2 we will discuss the parameterization and validation of interatomic potentials from DFT reference data. Day 3 will then introduce the methods and tools for the computation of thermodynamic properties and phase diagrams. +<iframe width="560" height="315" src="https://www.youtube.com/embed/8NP3DpUkg6U" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + + ```{tableofcontents} ``` diff --git a/introduction/Intro.md b/introduction/Intro.md index 6c161bad5ecd51314e034bf62face2e543e3b67b..855e0efdaaae1bee39d08dcdfd631c2d5aa3099e 100644 --- a/introduction/Intro.md +++ b/introduction/Intro.md @@ -10,7 +10,12 @@ Jörg Neugebauer (MPIE Düsseldorf) Workflow management with pyiron (motivation, intro to workflows and pyiron, computation of the properties that were introduced in the first tutorial with pyiron) Marvin Poul (MPIE Düsseldorf) +<iframe width="560" height="315" src="https://www.youtube.com/embed/5BUQY1TQs2M" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> ### <font style="color:#B71C1C" face="Helvetica" > Hands-on </font> Setting up workflows and computing materials properties with pyiron -Marvin Poul (MPIE Düsseldorf) \ No newline at end of file +Marvin Poul (MPIE Düsseldorf) + +<iframe width="560" height="315" src="https://www.youtube.com/embed/tEqCQD7b3oE" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + +<iframe width="560" height="315" src="https://www.youtube.com/embed/PIFz6qXHjIo" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> \ No newline at end of file diff --git a/phase_diagram/Intro.md b/phase_diagram/Intro.md index 6e6796441633f43c4dd47c49668532721e673ac0..b95499c4408b132015105316ba05b7cc53a4180f 100644 --- a/phase_diagram/Intro.md +++ b/phase_diagram/Intro.md @@ -4,10 +4,16 @@ Statistical mechanics applied to phase diagrams (basic thermodynamics for phase diagrams, statistical mechanics for free energy computation, thermodynamic integration, reversible scaling, nested sampling, examples for computed phase diagrams) Mike Finnis (Imperial College London) +<iframe width="560" height="315" src="https://www.youtube.com/embed/9UFZ_xKHl7Q" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + ### <font style="color:#B71C1C" face="Helvetica" > Tutorial VI </font> Computing thermodynamic properties and phase diagrams (motivation, free energies, calphy scope and workflow, examples of computed phase diagrams) Sarath Menon (MPIE Düsseldorf) +<iframe width="560" height="315" src="https://www.youtube.com/embed/CESz9J_AJfw" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + ### <font style="color:#B71C1C" face="Helvetica" > Hands-on </font> Thermodynamic properties and phase diagrams from interatomic potentials -Sarath Menon (MPIE Düsseldorf) \ No newline at end of file +Sarath Menon (MPIE Düsseldorf) + +<iframe width="560" height="315" src="https://www.youtube.com/embed/YShOouzL3ug" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> \ No newline at end of file diff --git a/potentials/Intro.md b/potentials/Intro.md index 6cc9744b46221da6642510197d48533ae0d8abb6..7634b0290720202904a66d7700b759ac5829fc5d 100644 --- a/potentials/Intro.md +++ b/potentials/Intro.md @@ -5,15 +5,25 @@ Atomic interactions - from classical to machine learning potentials (background and motivation, short history of interatomic potentials), creating and validating interatomic potentials (application range, validation tests, active learning) Ralf Drautz (RUB Bochum) +<iframe width="560" height="315" src="https://www.youtube.com/embed/zISqYTfQN4w" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> ### <font style="color:#B71C1C" face="Helvetica" > Tutorial IV </font> Three classes of interatomic potentials and their parameterization (EAM - atomicrex, NNP-runner and ACE-pacemaker) Niklas Leimeroth (TU Darmstadt), Alexander Knoll (Georg-August-Universität Göttingen), Moritz Schäfer (Georg-August-Universität Göttingen), Yury Lysogorskiy (RUB Bochum) +<iframe width="560" height="315" src="https://www.youtube.com/embed/ATfGcrv5kUU" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + +<iframe width="560" height="315" src="https://www.youtube.com/embed/dZYjEw_huOg" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> ### <font style="color:#B71C1C" face="Helvetica" > Hands-on: Fitting three classes of interatomic potentials and their parameterization </font> Creating and validating EAM (atomicrex), NNP (runner) and ACE (pacemaker) Niklas Leimeroth (TU Darmstadt), Alexander Knoll (Georg-August-Universität Göttingen), Moritz Schäfer (Georg-August-Universität Göttingen), Yury Lysogorskiy (RUB Bochum) +<iframe width="560" height="315" src="https://www.youtube.com/embed/aZrzKA4ncVQ" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + +<iframe width="560" height="315" src="https://www.youtube.com/embed/XehDHBqKK6Q" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> + ### <font style="color:#B71C1C" face="Helvetica" > Hands-on: Validation of interatomic potentials </font> -Minaam Qamar (RUB Bochum) \ No newline at end of file +Minaam Qamar (RUB Bochum) + +<iframe width="560" height="315" src="https://www.youtube.com/embed/R1oLtBvFVSA" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture" allowfullscreen></iframe> \ No newline at end of file