Quantum chemistry on quantum computers
Grant Agency
Grant Agency of the Czech Republic
Topics
Development and Application of Quantum Chemical Methods
Year from
2008
Year to
2012
Abstract:
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.
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.
Room
102
Department
Extension
+420 26605 2015
E-mail
jiri.pittner
jh-inst.cas.cz
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