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**Description**
Several links to scipy docs seem broken. They point to pages like https://docs.scipy.org/doc/scipy/reference/generated/generated/scipy.sparse.linalg.eigsh.html (note the "generated…
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Schemes such as Dynamical Mean-Field Theory (DMFT) or Density Matrix Embedding Theory (DMET), to name just two ideas from a larger family, allow one study the properties of a much larger system by sim…
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Hi,
I've been working from the example Fermi-Hubbard code provided here:
https://weinbe58.github.io/QuSpin/examples/example6.html
(also in the first SciPost Physics paper).
I think there might…
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## Issue Description
Implementing an adaptive Trotter decomposition that dynamically adjusts the number of Trotter steps based on the complexity of the quantum circuit. This would allow for more…
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@mrshirts @jpotoff @msoroush
I have thrown out a lot of different titles for the manuscript (although although most of them are pretty similar). I would appreciate if we could each vote on our favo…
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Copying from the alchemistry Slack channel from @davidlmobley:
We're having some issues with our work on binding mode sampling with NCMC (in BLUES), especially as we try to switch to the `AlchemicalN…
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I am running temperature replica exchange simulations on small coarse-grained oligomer systems (containing a single chain), and have been using an ensemble validation check on the energies for thermod…
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@ocots the function returned by `Flow` applied to an `ocp` should depend on the variable (when there is one, *i.e.* when the `ocp` is `NonFixed`) For instance, in [this case](https://control-toolbox.o…
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## Notes
* In light of discussions below and elsewhere, we have revised this proposal. Below is the original proposal as it stood prior to 4 April. A self-contained revision as of 6 April can be fo…
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I've started investigating whether it's possible to run stable MD simulations using models trained on SPICE. I'm opening this issue as a place to describe my results and discuss approaches.
As a s…