Advanced Photon Source

An Office of Science National User Facility

APS Scientific Computation Seminar Series

Sessions will normally be held on the 3rd Monday of the month at 1:00 p.m. and last approximately one hour.

This seminar series focuses on scientific computation for APS experiments. The series focuses on advanced software and computing infrastructure for analysis, reduction, reconstruction, and simulation. It provides an opportunity to learn about state-of-the-art computational techniques and tools and how they are being applied to science at the APS. It will start with talks from Argonne staff who are working on projects in collaboration or in support of APS science.

Next Seminar:
Title: Leveraging First Principles Modeling for X-Ray Data Inversion
Presenters: 

Maria K. Y. Chan, Nanoscience & Technology Division (NST), Argonne National Laboratory & Computation
Institute, The University of Chicago

and

Kendra Letchworth-Weaver, Nanoscience & Technology Division (NST), Argonne National Laboratory

Date: February 20, 2017
Time: 1:00 p.m.
Location: 401/A1100
Abstract:

The determination of atomistic structures from x-ray diffraction, scattering, and spectroscopic data is challenging due to the complexity of configurational space. In this talk, we will discuss the use of first principles and first principles-based modeling, in conjunction with various optimization approaches, to accelerate the process. Examples include single and multi-objective inversion of PDF data, and resolution of thin film and solid-liquid interface structures from CTR data.

Previous Seminars:

2017 | 2016 | 2015