16-19 October 2016
Copenhagen University
Europe/Copenhagen timezone

VirtuES - Combining Computation with High Throughput Experiments

17 Oct 2016, 17:00
1h 30m
Marble Hall (Copenhagen University)

Marble Hall

Copenhagen University

Thorvaldsensvej 40
Board: 13
Poster Posters

Speaker

Dr. Stuart Campbell (Oak Ridge National Laboratory)

Description

The vibrational spectrometer (VISION) at the Spallation Neutron Source (SNS) of Oak Ridge National Laboratory (ORNL) is the world's first high-throughput inelastic neutron scattering instrument. With it's high throughput, VISION is facing the challenge of timely data analysis and interpretation. The aim of VirtuES (Virtual Experiments in Spectroscopy) is to effectively meet this challenge, by providing a dedicated computational cluster. We are leveraging ORNL's existing expertise in computational sciences by situating VirtuES within the CADES (Compute and Data Environment for Science) infrastructure. We use first principle (ab-initio) electronic structure methods to predict the dynamics of materials. When experimental results are used in conjunction with modeling data, the overall information content is more than the sum of its parts. We will present details on the computational resources that are available to VISION users, together with benchmarks, initial results and our plans for the future.

Primary author

Dr. Stuart Campbell (Oak Ridge National Laboratory)

Presentation Materials

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