15 citations · 33 across the 10 of their papers we have counts for
10 papers
Orbital-Free DFT-Assisted Machine-Learned Molecular Dynamics for Electric-Field-Driven Ionic Transport
Yusuke Nishiya, Hiroya Nakata, Yosuke Harada +1
We propose an orbital-free density functional theory (OFDFT)-assisted machine-learned molecular dynamics method in which field-independent interatomic forces are evaluated using a…
Machine learning supported annealing for prediction of grand canonical crystal structures
Yannick Couzinie, Yuya Seki, Yusuke Nishiya +4
This study investigates the application of Factorization Machines with Quantum Annealing (FMQA) to address the crystal structure problem (CSP) in materials science. FMQA is a black…
Orbital-free density functional theory with first-quantized quantum subroutines
Yusuke Nishiya, Hirofumi Nishi, Taichi Kosugi +1
In this study, we propose a quantum-classical hybrid scheme for performing orbital-free density functional theory (OFDFT) using probabilistic imaginary-time evolution (PITE), desig…
First-quantized adiabatic time evolution for the ground state of a many-electron system and the optimal nuclear configuration
Yusuke Nishiya, Hirofumi Nishi, Yannick Couzinié +2
We propose a novel adiabatic time evolution (ATE) method for obtaining the ground state of a quantum many-electron system on a quantum circuit based on first quantization. As a str…
Quadratic acceleration of multi-step probabilistic algorithms for state preparation
Hirofumi Nishi, Taichi Kosugi, Yusuke Nishiya +1
For quantum state preparation, a non-unitary operator is typically designed to decay undesirable states contained in an initial state using ancilla qubits and a probabilistic actio…
Annealing for prediction of grand canonical crystal structures: Efficient implementation of n-body atomic interactions
Yannick Couzinie, Yusuke Nishiya, Hirofumi Nishi +3
We propose an annealing scheme usable on modern Ising machines for crystal structures prediction (CSP) by taking into account the general n-body atomic interactions, and in particu…
Optimal scheduling in probabilistic imaginary-time evolution on a quantum computer
Hirofumi Nishi, Koki Hamada, Yusuke Nishiya +2
Ground-state preparation is an important task in quantum computation. The probabilistic imaginary-time evolution (PITE) method is a promising candidate for preparing the ground sta…
Effect of nitrogen introduced at the SiC/SiO interface and SiC side on the electronic states by first-principles calculation
Keita Tachiki, Yusuke Nishiya, Jun-ichi Iwata +1
In this study, using first-principles calculations, we investigate the behavior of electrons at the SiC/SiO interface when nitrogen is introduced as a dopant within a few nm of…
Acceleration of probabilistic imaginary-time evolution method combined with quantum amplitude amplification
Hirofumi Nishi, Taichi Kosugi, Yusuke Nishiya +1
A probabilistic imaginary-time evolution (PITE) method was proposed as a nonvariational method to obtain a ground state on a quantum computer. In this formalism, the success probab…
Probabilistic imaginary-time evolution by using forward and backward real-time evolution with a single ancilla: first-quantized eigensolver of quantum chemistry for ground states
Taichi Kosugi, Yusuke Nishiya, Hirofumi Nishi +1
Imaginary-time evolution (ITE) on a quantum computer is a promising formalism for obtaining the ground state of a quantum system. As a kind of it, the probabilistic ITE (PITE) take…