arXiv subjects

Kazuo Hoshino

Publications and source records attributed to Kazuo Hoshino.

4 recordsLinked to original sources

arXiv2026

Development of a 3D-CNN-based Prediction Model for Migration Barriers in Plasma-Wall Interactions

Understanding the long-term transport of hydrogen isotopes in plasma-facing materials, such as tungsten, is critical for the steady-state operation of magnetic confinement fusion reactors. However, dynamically updating the transition parameters for kinetic Monte Carlo (kMC) simulations as the atomic structure evolves under continuous plasma irradiation remains a severe computational bottleneck. Conventionally, calculating these migration barriers requires the iterative and computationally expensive Nudged Elastic Band (NEB) method. To overcome this limitation, this article presents a highly efficient surrogate model for predicting migration barriers using a three-dimensional Convolutional Neural Network (3D-CNN), establishing the final component necessary to realize on-the-fly molecular dynamics (MD) and kMC hybrid simulations. The proposed deep learning model takes a two-channel volumetric input, the local three-dimensional potential energy distribution and the voxelized spatial coordinates of the initial and final trapping sites, to directly output the migration barrier as a scalar value. Trained on a comprehensive dataset of tungsten-hydrogen configurations evaluated using the Embedded Atom Method (EAM) potential, the model demonstrated robust predictive accuracy, achieving a Mean Absolute Error (MAE) of 0.124 eV and a high coefficient of determination of 0.890. Furthermore, utilizing GPU acceleration, the inference time is reduced to approximately 2.7 milliseconds per barrier, achieving a speed-up ratio of over 23,000 compared to conventional NEB calculations. This extraordinary acceleration effectively resolves the computational barrier of transition rate evaluations, paving the way for large-scale, dynamic modeling of plasma-wall interactions.

physics.plasm-ph↗

arXiv2026

Deep Learning-Accelerated Dynamic Kinetic Monte Carlo Simulation for Hydrogen Transport in Tungsten

In magnetic confinement fusion reactors, hydrogen plasma irradiation causes material saturation and recycling, where hydrogen released from the tungsten wall significantly impacts the peripheral plasma. Kinetic Monte Carlo (kMC) simulations are essential for investigating the dynamic balance between incident and emitted fluxes at the atomic scale. However, standard kMC frameworks are inadequate for handling realistic material complexities, such as polycrystalline structures and dynamic evolution under irradiation, being computationally bottlenecked by continuous transition parameter updates. Conventionally, evaluating migration barriers in disordered systems (e.g., grain boundaries) relies on computationally prohibitive on-the-fly atomistic calculations like the Nudged Elastic Band (NEB) method. Here, we present a deep learning-accelerated Dynamic kMC framework that eliminates this reliance. Our approach integrates a three-stage deep learning pipeline: a pix2pix model for predicting local 3D potential energy distributions, a U-Net for extracting hydrogen trapping sites, and a 3D-CNN for directly evaluating migration barriers. To achieve macroscopic timescales, we implemented a hierarchical spatial index combined with a differential local-update algorithm operating in O(1) complexity. This architecture restricts recalculations to the immediate vicinity of moving atoms, accelerating updates. Demonstrated on a large-scale realistic polycrystalline tungsten model, the framework successfully reproduces preferential hydrogen trapping along grain boundaries, bridging the gap between atomic-scale accuracy and macroscopic timescales for full-scale plasma-wall interaction simulations.

cond-mat.mtrl-sci↗

arXiv2024

Quantum conjugate gradient method using the positive-side quantum eigenvalue transformation

Quantum algorithms are still challenging to solve linear systems of equations on real devices. This challenge arises from the need for deep circuits and numerous ancilla qubits. We introduce the quantum conjugate gradient (QCG) method using the quantum eigenvalue transformation (QET). The circuit depth of this algorithm depends on the square root of the coefficient matrix's condition number $κ$, representing a square root improvement compared to the previous quantum algorithms, while the total query complexity worsens. The number of ancilla qubits is constant, similar to other QET-based algorithms. Additionally, to implement the QCG method efficiently, we devise a QET-based technique that uses only the positive side of the polynomial (denoted by $P(x)$ for $x\in[0,1]$). We conduct numerical experiments by applying our algorithm to the one-dimensional Poisson equation and successfully solve it. Based on the numerical results, our algorithm significantly improves circuit depth, outperforming another QET-based algorithm by three to four orders of magnitude.

quant-ph↗

arXiv2023

Hamiltonian simulation using quantum singular value transformation: complexity analysis and application to the linearized Vlasov-Poisson equation

Quantum computing can be used to speed up the simulation time (more precisely, the number of queries of the algorithm) for physical systems; one such promising approach is the Hamiltonian simulation (HS) algorithm. Recently, it was proven that the quantum singular value transformation (QSVT) achieves the minimum simulation time for HS. An important subroutine of the QSVT-based HS algorithm is the amplitude amplification operation, which can be realized via the oblivious amplitude amplification or the fixed-point amplitude amplification in the QSVT framework. In this work, we execute a detailed analysis of the error and number of queries of the QSVT-based HS and show that the oblivious method is better than the fixed-point one in the sense of simulation time. Based on this finding, we apply the QSVT-based HS to the one-dimensional linearized Vlasov-Poisson equation and demonstrate that the linear Landau damping can be successfully simulated.

quant-ph↗