[Ifeffit] Dynamic XAFS Simulations?

Hunter Allison hgalliso at uci.edu
Wed Jan 23 15:26:21 CST 2019


        I'm a graduate student at the University of California, Irvine.
Firstly, thank you for all the copious resources. It is a treasure trove of
information and a beacon of light for someone just starting out.

       Let's begin with some brief background. In my research group, we
intend to perform pump-probe spectroscopy with attosecond x-ray probes. The
Professor says that we can use XAFS to study how the electrons move on
these very short timescales. While the system is being setup and other
experiments are being conducted, my Professor wants me to figure out how to
do simulations of XAFS. This is a bit of a daunting order, since I've never
simulated anything before and only have basic programming knowledge. The
only direction I have is, "Try Google.".

       So, today, I've been "trying Google" and found my way to here.
Since, I don't really know what I'm doing, I thought I try asking and
finding out if anyone else does this sort of thing:
How/where does one do simulations of dynamic XAFS? Where would I get
(Please forgive me if this question has been answered somewhere else or if
it seems profoundly dumb or too broad. I'm really just looking for some
more direction. Perhaps, it could be that nobody does this and, in that
case, I need to figure out how to model this myself. Wow! That thought
seems daunting.)

       For example, let's say I want to find out how the x-ray adsorption
of a carbon foil like Graphene would change on attosecond time scales as
it's heated by a femtosecond laser and electrons move. Is there a program
or code out there that people use to model this sort of thing?
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