Spin Dynamics Forum

General Discussions => General Discussion => Topic started by: AmandeepSingh on May 12, 2016, 10:04:44 AM

Title: SPINACH-Optimal Control Module-GRAPE-Example
Post by: AmandeepSingh on May 12, 2016, 10:04:44 AM
I am a beginner in using GRAPE module available in SPINACH. It will be great help if someone can guide me about it's use with example. I am working on a four 19F coupled spin system. And I would like to use GRAPE optimization to implement gates e.g. Controlled Rotations. 
Title: Re: SPINACH-Optimal Control Module-GRAPE-Example
Post by: kuprov on July 10, 2016, 12:53:23 PM
Plenty of examples in the optimal control exmple set. Is there anything particular missing that you are interested in?
Title: Re: SPINACH-Optimal Control Module-GRAPE-Example
Post by: AmandeepSingh on September 28, 2016, 10:12:54 AM
Thank you Prof. Kuprov for the reply. I have a unitary matrix which I need to implement using NMR in an optimized manner. For example in current version of SPINACH, in example section, optimal_control, state_transfer_grape_hcf() function transfer the z-magnetization from proton to fluorine i.e. state changes from I_1z to I_3z. Correspond to this operation there is a unitary matrix. So while executing state_transfer_grape_hcf() the optimization is effectively reproducing the same unitary. And I am expecting that we can implement the optimization results to Bruker spectrometer (I am still trying to find the that how optimization results can be converted to a shape file to be used by spectrometer).
Now query is: Is it possible that I supply  the unitary and other system parameters (e.g. required by sys, inter ... etc) and SPINACH can give me the optimized shape pulse? Or alternatively, I have to specify the Initial state and Desired target state ( I mean there is no option for specifying unitary...!)?

Amandeep
Title: Re: SPINACH-Optimal Control Module-GRAPE-Example
Post by: kuprov on November 04, 2016, 08:57:35 AM
sorry for the slow reply -- this has slipped between the cracks somehow. Yes, Spinach returns the optimal waveform. If you would like to run a gate optimisation, specify multiple initial states and multiple destination states as cell arrays.