Re: [Ifeffit] Dynamic XAFS Simulations?

Thank you both for your helpful suggestions. I really appreciate it. You're both very kind and welcoming! I'm going to delve into the resources you've suggested and see what I can discover! Best wishes, Hunter On Wed, Jan 23, 2019 at 3:14 PM Gentle, Cecilia M wrote:

Dear Hunter,

I also recommend you to join the mailing list for the ultrafast laser community: dyna@listes.epfl.ch [to subscribe: dyna-subscribe@listes.epfl.ch]

Best,

Cecilia Gentle PhD Candidate, Department of Chemistry University of Illinois at Urbana-Champaign https://www.vanderveen-lab.com/

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Today's Topics:

1. Dynamic XAFS Simulations? (Hunter Allison) 2. Re: Dynamic XAFS Simulations? (Robert Gordon)

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Message: 1 Date: Wed, 23 Jan 2019 13:26:21 -0800 From: Hunter Allison To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] Dynamic XAFS Simulations? Message-ID: Content-Type: text/plain; charset="utf-8"

Hi,

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 started? (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?