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Questions tagged [chemistry]

For questions regarding applications of quantum computing and quantum information theory in quantum chemistry or applications of chemistry in quantum computing architecture.

6 questions with no upvoted or accepted answers
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Number of Qubits Required for Simulation of Caffeine and Penicillin Molecules

I recently read this report from BCG, which stated: For scientists trying to design a compound that will attach itself to, and modify, a target disease pathway, the critical first step is to ...
4
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0answers
25 views

Do we know anything about the computational complexity of the exchange-correlation functional?

Density functional theory is based on the Hohenberg-Kohn (HK) theorems and aims to compute the ground-state many-body wavefunction of a physical material and/or molecules. To put it simply, the HK ...
3
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0answers
30 views

Spin precession using a laser

According to Christopher Monroe: "Modular Ion Trap Quantum Networks: Going Big", the hyperfine states of the valence electron in the Yb+ is used as a qubit. I know that we can change the spin ...
2
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0answers
65 views

How to apply unitary coupled cluster to a spin problem?

I understand how to apply UCC to a problem formulated in a second-quantized (fermion) form: you start with some state and then create a unitary operator out of single-body (or double-, triple- and so ...
2
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0answers
26 views

Can one make NV centred type qubits from analogus materials in the periodic table?

Can one replace Nitrogen with Phosphorus and Carbon with Silicon and so on? What would be the conditions that would preclude such a realisation? Are there any implemenations so far?
2
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Hamiltonian of the valence electron of Yb+ ion

Let's say I have chosen the valence electron of Yb+ as my qubit. I want to consider it's hyperfine structure as the two-level energy states. Are my following assumptions correct? If the magnetic ...