Veranstaltungen

08. April 2025, 16:00 bis 17:00

Alexander Imre, TU Wien, IAP, FB Oberflächenphysik

Seminar

ViPErLEED and Parameter Tree Based Tensor-LEED

Quantitative Low-Energy Electron Diffraction [LEED-I(V)] is a powerful technique for determining atomic- scale surface structures, crucial for understanding surface chemistry, catalysis, and material properties. In LEED-I(V), diffraction intensities measured as a function of incident electron energy are compared directly and quantitatively to theoretical calculations.

Over recent years, we have developed ViPErLEED, a comprehensive and user-friendly software package designed to streamline LEED-I(V) analyses. ViPErLEED integrates experimental-data processing, robust theoretical modeling, and advanced optimization routines into a single accessible environment. Here, we provide an overview of ViPErLEED’s key features and typical use cases, followed by a discussion of ongoing developments.

A primary focus of our current efforts is improving structural optimization methods, the computational bottleneck in LEED-I(V) calculations. We demonstrate significant performance gains by employing a hierarchical, tree-based, parameter structure combined with modern numerical libraries originally developed for machine learning. These enhancements increase computational efficiency and broaden the range of accessible surface structures for accurate quantitative analysis.

Kalendereintrag

Veranstaltungsort

SEM.R. DB gelb 05 B
1040 Wien
Wiedner Hauptstraße 8-10/E134

 

Veranstalter

IAP
Manuela Marik
marik@iap.tuwien.ac.at

 

Öffentlich

Ja

 

Kostenpflichtig

Nein

 

Anmeldung erforderlich

Nein