Tuesday, May 02, 2006

Preprint of the day--Quantum chemistry meets quantum computing

Here is the preprint which I would like to highlight today, by Alán Aspuru-Guzik, Anthony Dutoi, Peter Love, and Martin Head-Gordon.

Alán Aspuru-Guzik is coming to Harvard in July, which I think will make him the first real electronic structure theorist here. Electronic structure has been a very hot, and useful, field for a very long time, and I have always been surprised that Harvard did not have anyone in the chemistry department working on it.

The theme of recent research by Alán and some others in the Head-Gordon group has been to use classical computers to simulate quantum computers, and show that quantum computational algorithms can be useful and accurate for determining ground-state energies of small molecules. For example, they have simulated calculations of the ground state energies of both water and lithium hydride. It seems that only a few hundred qubits can give extremely accurate results. Another use for quantum computing!

Now if we AMO people could just get the quantum computer running... :)


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