Development of fundamental theory and methodology for first-principles calculations
In this project, we are developing methods to simulate the electronic states in solids using computer simulations. In order to accurately simulate the properties of quantum materials, it is necessary to solve the equations of quantum mechanics that electrons obey with high accuracy. In this project, we are improving the accuracy of electronic state calculation methods based on density functional theory and other theories, extending the theories to treat novel quantum states, and developing a simulation infrastructure to search for new functional materials. We are also developing new methodologies utilizing machine learning and molecular dynamics simulations to investigate reactions of molecules and solids in computers.
Simulation of Quantum Material Properties
When certain impurities (defects) are introduced into diamond or silicon carbide, they act as a light source that absorbs and emits light particles (photons), which can be applied to quantum computers and high-sensitivity sensors. In this project, we are analyzing the electronic structure of such quantum materials and searching for new quantum materials.
Development of Quantum Algorithms
While the basic operations in conventional computers (classical computers) are arithmetic operations, those in quantum computers are "unitary operations" and "observations". Therefore, an algorithm known to be good in a classical computer does not necessarily give good performance in a quantum computer as it is. In this project, we are developing algorithms that maximize the performance of quantum computers. In particular, we are working on the development of quantum algorithms that are expected to have quantum superiority.
Development of Quantum Error Mitigation/Error Correction Technology
The greatest challenge in the widespread use of quantum devices is the control of error noise. In this project, we aim to establish techniques to mitigate error noise. In particular, we are developing software to mitigate the effects of noise. By doing so, we hope to accelerate the spread of quantum technology.
