📢 Course: Electronic-Structure Simulations for Large-Scale Facilities

The Laboratory for Materials Simulations (LMS) at PSI is organizing a 4-day focused course on electronic-structure simulations, tailored for experimentalists working at large-scale facilities.

🖥 Course Topics & Schedule
📅 April 3, 4, 7, and 9 (14:00-16:00 CEST)
📍 PSI Auditorium & Online Streaming

🔹 April 3 – Fundamentals of electronic-structure theories: DFT and beyond
👨‍🏫 Prof. Nicola Marzari (EPFL & PSI)

🔹 April 4 – Predicting materials properties with electronic-structure simulations
👨‍🏫 Prof. Nicola Marzari (EPFL & PSI)

🔹 April 7 – Practical guide to DFT simulations (Hands-on session)
👨‍🏫 Dr. Giovanni Pizzi (PSI) & Team

🔹 April 9 – Automated simulations for large-scale-facility applications
👨‍🏫 Dr. Giovanni Pizzi (PSI) & Team

☕️ Coffee Break at 16:00 after each module
💡 Extra support for hands-on sessions (April 7 & 9) from 16:00-17:00 for in-person attendees

🛠 Hands-on Learning
Participants will execute simulations via AiiDAlab (browser-based platform). Topics include:
✅ Crystal-structure relaxation with DFT
✅ Electronic properties: band structures & density of states
✅ Lattice dynamics & spectroscopy: phonons, IR/Raman, neutron scattering
✅ Muon spectroscopy (µSR)
✅ Additional workflows: XPS, XAS, Bader charge analysis, Wannier functions, DFT+U(+V)

📡 Join Online
🔗 Webinar ID: 69151603685 | Passcode: 5858
🔗 Zoom Link: https://epfl.zoom.us/j/69151603685?pwd=i3anGK0ZKAtaefafWrfGOIT6gPbGUt.1

⚠️ Online attendees: No direct interaction/support, but tutorial materials will be sent before the sessions.

📝 Register Now! (By March 30)
🔗 Registration Link: https://forms.gle/ZdkQCjxLymTjVehP7

#DFT #QuantumSimulations #MaterialsScience #ComputationalChemistry #PSI #AiiDAlab

🔷 CrysX – 3D Viewer
A high-fidelity cross-platform tool for crystal and molecular visualization

🧊 CrysX – Crystal Visualizer is a powerful application compatible with Windows, macOS, Linux, and Android. Built on the Unity3D engine, it offers unmatched graphical quality**—outperforming all existing tools for viewing molecules, crystals, and isosurfaces.

📂 Supports multiple file formats:
`.cif`, `.xyz`, `.cub`, `.mol`, `POSCAR`, `CONTCAR`, `extXYZ`, and Turbomole format.

🎓 **Designed for researchers, it allows:
▪️ Creation of illustrations for papers, graphical abstracts, journal covers, theses, and dissertations
▪️ Visualization of lattice planes, electric/magnetic field vectors
▪️ Modeling of supercells, thin films/quantum wells, quantum dots
▪️ Manipulation of structures (e.g., vacancies, impurities)
▪️ Measurement of bond angles and lengths

📘 Despite its advanced features, CrysX is easy to use and comes with detailed documentation and YouTube tutorials.

🔗 Learn more and download:
👉 [https://www.bragitoff.com/crysx-3d-viewer/](https://www.bragitoff.com/crysx-3d-viewer/)

\#Crystallography #MolecularVisualization #MaterialsScience #ResearchTools #CrystalViewer #CrysX #3DViewer #ComputationalChemistry #ScientificSoftware

23rd USPEX Workshop — Crystal Structure Prediction (Online)

Learn modern crystal structure prediction and AI-driven materials design with USPEX. The program combines concise lectures on theory and recent advances with hands-on tutorials led by the developers. USPEX (free for academics) implements evolutionary search plus complementary methods—random sampling, metadynamics, minima hopping, and particle swarm optimization—used by a community of 11,000+ researchers.

🗓 November 11–12, 2025
🌐 Online
💬 Language: English
💳 Cost: Free

Program & registration: https://events.skoltech.ru/uspex2025#program

#USPEX #CrystalStructurePrediction #MaterialsScience #ComputationalMaterials