Quantum chemistry on quantum computers

Grant Agency
Grant Agency of the Czech Republic
Development and Application of Quantum Chemical Methods
Year from
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The aim of this project is to develop methods for theoretical chemistry calculations on quantum computers. The exact solution of Schroedinger equation for a molecule within a finite basis set, i.e. full CI, has on a classical computer an exponential computational scaling with the size of the molecule and is thus not useful for practical applications. On the other hand, a quantum computer should be able to efficiently (i.e. with a polynomial effort) simulate a many-electron system and has thus the potential to completely change the way how quantum chemical calculations are being performed. The practical realization of quantum computers has been for a long time considered a matter of far future. However, recently (Feb. 2007) a Canadian company D-Wave presented a 16-qubit quantum computer and claimed that in 2008 it should build a quantum computer with hunderds of qubits. It seems thus to be the right time to start to work on this subject.

doc. Mgr. Pittner Jiří Dr. rer. nat., DSc.

+420 26605 2015