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Re:Design of a silicon quantum computer chip by mtgx on Monday December 18, 2017 @05:05PM (#15955937)
You need an exponential increase in performance (power of N) to simulate an increasing number of molecules, while for quantum computers you may need only a polynomial increase in performance (power of 2).

So it's possible to simulate 25-qubit-level chemistry with a laptop, 50-qubit-level chemistry with a supercomputer, and 100-qubit-level simulation with a supercomputer is impossible and will be impossible for a very long time.

But going from a 50-qubit quantum computer to a 100-qubit one may take just 2 years (or 4, it doesn't really matter), and then another 2 years to get to 200 qubits, and so on. Quantum computers will solve chemistry problems in minutes that would otherwise have taken 100 years to simulate.

Re:Design of a silicon quantum computer chip by jabl on Monday December 18, 2017 @05:55PM (#15956243)
So what I'm asking is how does a quantum computer solve quantum chemistry problems? To make it concrete, say I want to calculate the band structure of a crystal using a quantum computer? What do I do? What kind of algorithms can the QC run that solves this problem faster/better than, say, a DFT code?

I don't think it's a given that just because I want to simulate a quantum mechanical system in some way, that a quantum computer is a useful tool. Or it might be, I don't know. I just don't think it's enough justification that there happens to be the word "quantum" in both the problem description and in the name of the computer.

Re:Design of a silicon quantum computer chip by adrianN on Tuesday December 19, 2017 @03:03AM (#15958542)
Simulating quantum chemistry was one of the original motivations for quantum computers.

See this paper for an overview https://arxiv.org/pdf/1203.1331.pdf

Re:Design of a silicon quantum computer chip by jabl on Friday December 22, 2017 @03:53AM (#15986141)
Thank you, exactly what I was looking for!