Project information
Development of algorithms for application of quantum computers in electronic-structure calculations in solid-state physics and chemistry (Qubits4PhysChem)

Project Identification
Project Period
3/2020 - 12/2022
Investor / Pogramme / Project type
Masaryk University
MU Faculty or unit
Faculty of Science
Other MU Faculty/Unit
Institute of Computer Science

Electronic-structure calculations have become an indispensable theoretical tool in physics and chemistry. After four decades of rapid development these calculations allowed for studying systems consisting of up to one thousand of atoms. Further up-scaling to yet bigger systems, such as those encountered in nanoparticles, is hindered by limited computer power. Fortunately, there is a newly emerging class of quantum computers that should soon provide an exponentially higher computer power. Albeit promising, quantum computers are still in their infancy and basic algorithms need to be developed. Within the proposed project, solid-state physicists and chemists will synergistically cooperate with experts in the field of quantum computing to develop new software tools allowing for electronic-structure calculations on quantum computers and to obtain unprecedented results with potentially ground-breaking consequences.


Total number of publications: 14

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