# Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials

@article{Mizuta2021DeepVQ, title={Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials}, author={Kaoru Mizuta and Mikiya Fujii and Shigeki Fujii and Kazuhide Ichikawa and Yutaka Imamura and Yukihiro Okuno and Yuya O. Nakagawa}, journal={Physical Review Research}, year={2021} }

Kaoru Mizuta, 2, ∗ Mikiya Fujii, Shigeki Fujii, Kazuhide Ichikawa, Yutaka Imamura, Yukihiro Okuno, and Yuya O. Nakagawa QunaSys Inc., Aqua Hakusan Building 9F, 1-13-7 Hakusan, Bunkyo, Tokyo 113-0001, Japan Department of Physics, Kyoto University, Kyoto 606-8502, Japan Technology division, Innovation Promotion Sector, Panasonic Corporation, 1006 Kadoma, Kadoma City, Osaka 571-8508, Japan Innovative Technology Laboratories, AGC Inc., Yokohama 230-0045, Japan Analysis Technology Center, FUJIFILM…

## 11 Citations

### A comprehensive study on how to construct local bases in deep variational quantum eigensolver for molecular systems

- Physics
- 2022

Luca Erhart, ∗ Kosuke Mitarai, 2, 3, † Wataru Mizukami, 2, 3, ‡ and Keisuke Fujii 2, 4, § Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan…

### Revisiting semiconductor bulk hamiltonians using quantum computers

- Physics
- 2022

. With the advent of near-term quantum computers, the simulation of properties of solids using quantum algorithms becomes possible. By an adequate description of the system’s Hamiltonian, variational…

### The Variational Quantum Eigensolver: A review of methods and best practices

- Computer SciencePhysics Reports
- 2022

### Block Lanczos method for excited states on a quantum computer

- Physics
- 2021

The method of quantum Lanczos recursion is extended to solve for multiple excitations on the quantum computer. While quantum Lanczos recursion is in principle capable of obtaining excitations, the…

### Leveraging small scale quantum computers with unitarily downfolded Hamiltonians

- Computer Science
- 2022

A quantum unitary downfolding formalism based on the driven similarity renormalization group (QDSRG) that may be combined with quantum algorithms for both noisy and fault-tolerant hardware and shows that the QDSRG is a viable approach to leverage near-term quantum devices for the accurate estimation of molecular properties.

### Towards a Larger Molecular Simulation on the Quantum Computer: Up to 28 Qubits Systems Accelerated by Point Group Symmetry

- Education
- 2021

The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential…

### Quantum Computation of Reactions on Surfaces Using Local Embedding

- Physics
- 2022

Quantum computational techniques have been proposed to model electronic systems. Despite encouraging preliminary results for small molecular species, the modeling of complex material systems using…

### Quantum Simulations of Material Properties on Quantum Computers

- Computer Science, Physics
- 2021

Applications for a specific class of materials, i.e., spin-defects in solids, which are promising systems to build future quantum technologies, e.g., computers, sensors and devices for quantum communications are presented.

### Biology and medicine in the landscape of quantum advantages

- Computer ScienceJournal of the Royal Society Interface
- 2022

The concept of a quantum advantage is distill into a simple framework and applied to a wide variety of computational problems relevant to biology and medicine in an effort to assess the potential of practical advantages in specific application areas and identify gaps that may be addressed with novel quantum approaches.

### Ab initio Quantum Simulation of Strongly Correlated Materials with Quantum Embedding

- Chemistry
- 2022

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although signiﬁcant progress has been made in…

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