Quantum chemistry for quantum computers
- 1.2 Quantum chemistry
- 2.3 Quantum materials(Topological materials/Thermoelectric devices/Functional materials)
Graduate School of Science
The objective of this research is to chemically synthesize novel materials such as phase transition materials and single-molecule magnets for application to quantum computers, and to investigate the future direction of computational material chemistry using quantum computers by comparing the results with first-principles calculations performed using Neumann-type computers.
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