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Introduction for JDWhitfield

This is my first post and I was told to introduce myself. Jacob is a long time collaborator and I think John is the only one on my feed using Google+ as it was intended so needless to say I am glad to join the forum.

My research interests surround quantum chemistry and it's intersection with other areas that I find fascinating like quantum computing or group theory.

I'm currently in Vienna at the Vienna Center for Quantum Science and Technology as an inaugural VCQ postdoctoral fellow in Frank Verstraete's group where I've had the freedom to pursue projects involving "standard" numerics, questions about computational complexity, and the exploitation of group theory in quantum chemistry.

JDW

Comments

  • 1.

    Cool! I have become less interested in quantum theory as I've become more interested in ecological issues. I'm trying to take ideas from quantum theory and apply them to probability theory, which seems like a more relevant subject to a lot of macroscopic problems. But earlier I'd spent a lot of time thinking about quantum theory, so I'm still interested in it. I like Verstraete's work, in particular.

    Comment Source:Cool! I have become less interested in quantum theory as I've become more interested in ecological issues. I'm trying to take ideas from quantum theory and apply them to probability theory, which seems like a more relevant subject to a lot of macroscopic problems. But earlier I'd spent a lot of time thinking about quantum theory, so I'm still interested in it. I like Verstraete's work, in particular.
  • 2.

    Hi James, As you wrote:

    My research interests surround quantum chemistry.

    I wonder if you've used any chemical reaction modelling software. I've some a couple of pretty feeble attempts trying to compile a candidate list of packages of the Petri Net Forum page?

    Comment Source:Hi James, As you wrote: > My research interests surround quantum chemistry. I wonder if you've used any chemical reaction modelling software. I've some a couple of pretty feeble attempts trying to compile a candidate list of packages of the [[Petri Net]] Forum page?
  • 3.
    Hi Jim,

    I haven't used any chemical reactions modelling software as quantum chemistry only gets so big. A petri dish is huge on the scale of electrons. That said I will check out your software and see if I can add anything.

    Cheers,
    JDW
    Comment Source:Hi Jim, I haven't used any chemical reactions modelling software as quantum chemistry only gets so big. A petri dish is huge on the scale of electrons. That said I will check out your software and see if I can add anything. Cheers, JDW
  • 4.

    Neither of my 2 academic chemist friends seem to have used anything other than perhaps jmol or some other structure package, so it seems it's more a case of finding somebody who knows somebody :). Thanks for the help.

    Comment Source:Neither of my 2 academic chemist friends seem to have used anything other than perhaps jmol or some other structure package, so it seems it's more a case of finding somebody who knows somebody :). Thanks for the help.
  • 5.

    I'll ask Ryan Babbush in Boston!

    Comment Source:I'll ask Ryan Babbush in Boston!
  • 6.
    Hi Everyone!

    I'm also a chemical physicist in the third year of my PhD with Alan Aspuru-Guzik at Harvard. Unfortunately, I haven't used any of the software you've mentioned here. I've done some work with molecular dynamics involving sampling correlation functions and free energy surfaces (both provide insight into chemical reactions) but I've never done anything that uses Petri nets to model reactions. Sounds interesting though.
    Comment Source:Hi Everyone! I'm also a chemical physicist in the third year of my PhD with Alan Aspuru-Guzik at Harvard. Unfortunately, I haven't used any of the software you've mentioned here. I've done some work with molecular dynamics involving sampling correlation functions and free energy surfaces (both provide insight into chemical reactions) but I've never done anything that uses Petri nets to model reactions. Sounds interesting though.
  • 7.

    Ryan Babbush,

    Hi Ryan,

    Thanks for having a look. The search will have to continue...

    If it's of interest, I've added some more packages over on the Petri net page. I've also linked a very informative paper on the topology of chemical organisations which maps out a whole load of things I didn't know were analogous or otherwise connected.

    Best wishes

    Comment Source:[[Ryan Babbush]], Hi Ryan, Thanks for having a look. The search will have to continue... If it's of interest, I've added some more packages over on the [[Petri net]] page. I've also linked a very informative paper on the topology of chemical organisations which maps out a whole load of things I didn't know were analogous or otherwise connected. Best wishes
  • 8.

    When I finally finish writing the book Quantum techniques for stochastic mechanics I want to add a discussion of Petri net software, so any help you guys can provide on finding and describing such software would be much appreciated! You can put it on the Petri net page.

    Thanks, Jim, for doing some of that...

    Comment Source:When I finally finish writing the book [Quantum techniques for stochastic mechanics](http://math.ucr.edu/home/baez/stoch_stable.pdf) I want to add a discussion of Petri net software, so any help you guys can provide on finding and describing such software would be much appreciated! You can put it on the [[Petri net]] page. Thanks, Jim, for doing some of that...
  • 9.

    Sounds busy, g me if you find time to Azimuth some angles of Vienna with me.

    Comment Source:Sounds busy, g me if you find time to Azimuth some angles of Vienna with me.
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