:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Motoyama, Yuichi, Yoshimi, Kazuyoshi, Aoyama, Tatsumi, Terayama, Kei, Tsuda, Koji, Tamura, Ryo
Format:	Preprint
Published:	2026
Subjects:	Computational Physics Materials Science
Online Access:	https://arxiv.org/abs/2603.01349
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Project For Advancement of Software Usability in Materials Science
by: Yoshimi, Kazuyoshi, et al.
Published: (2025)

MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations
by: Motoyama, Yuichi, et al.
Published: (2022)

Facilitating {\it ab initio} configurational sampling of multicomponent solids using an on-lattice neural network model and active learning
by: Kasamatsu, Shusuke, et al.
Published: (2020)

Revisiting spin Hamiltonian parameters in a Kitaev material via Bayesian optimization of magnetization curves
by: Misawa, Takahiro, et al.
Published: (2026)

NIMS-OS: An automation software to implement a closed loop between artificial intelligence and robotic experiments in materials science
by: Tamura, Ryo, et al.
Published: (2023)

LLM-guided phase diagram construction through high-throughput experimentation
by: Tamura, Ryo, et al.
Published: (2026)

Data-driven study of the enthalpy of mixing in the liquid phase
by: Deffrennes, Guillaume, et al.
Published: (2024)

TeNeS-v2: Enhancement for Real-Time and Finite Temperature Simulations of Quantum Many-Body Systems
by: Motoyama, Yuichi, et al.
Published: (2025)

aLLoyM: A large language model for alloy phase diagram prediction
by: Oikawa, Yuna, et al.
Published: (2025)

Robust analytic continuation using sparse modeling approach imposed by semi-positive definiteness for multi-orbital systems
by: Motoyama, Yuichi, et al.
Published: (2024)

CRYSIM: Prediction of Symmetric Structures of Large Crystals with GPU-based Ising Machines
by: Liang, Chen, et al.
Published: (2025)

ZEBRA-Prop: A Zero-Shot Embedding-Based Rapid and Accessible Regression Model for Materials Properties
by: Yamamoto, Ryoma, et al.
Published: (2026)

H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation
by: Aoyama, Tatsumi, et al.
Published: (2023)

Boltzmann sampling with quantum annealers via fast Stein correction
by: Shibukawa, Ryosuke, et al.
Published: (2023)

Exploring utilization of generative AI for research and education in data-driven materials science
by: Misawa, Takahiro, et al.
Published: (2025)

Active Learning for Predicting the Enthalpy of Mixing inBinary Liquids Based on Ab Initio Molecular Dynamics
by: Bizot, Quentin, et al.
Published: (2025)

Chaotic magnetization dynamics in magnetic Duffing oscillator
by: Tatsumi, Ryo, et al.
Published: (2025)

Semi-automated estimation of hydrogenic initial states for localized Wannier functions
by: Oikawa, Tatsuki, et al.
Published: (2025)

Compensated Ferrimagnets with Colossal Spin Splitting in Organic Compounds
by: Kawamura, Taiki, et al.
Published: (2023)

Ambient-Pressure Organic Dirac Electron State in $α$-(BETS)$_2$AuCl$_2$
by: Kobayashi, Takuya, et al.
Published: (2026)

Switchable Polarization in an A-site Deficient Perovskite through Vacancy and Cation Engineering
by: Yoshida, Suguru, et al.
Published: (2025)

Scalable Dielectric Tensor Predictions for Inorganic Materials using Equivariant Graph Neural Networks
by: Hua, Haowei, et al.
Published: (2026)

Strain Correlated Linearly Polarized Photoluminescence in WS2/WSe2 Moiré Superlattices
by: Urano, Yuto, et al.
Published: (2026)

NIMO Controller: a self-driving laboratory orchestrator based on the Model Context Protocol
by: Yoshikawa, Naruki, et al.
Published: (2026)

Giant Seebeck Effect in PEDOT Materials with Molecular Strain
by: Osada, Yuki, et al.
Published: (2024)

Inverse Design of Nonlinear Mechanics of Bio-inspired Materials Through Interface Engineering and Bayesian Optimization
by: Zhang, Wei, et al.
Published: (2024)

Induced magnetic moment at two-dimensional MXene/ferromagnetic interface evaluated by angle-dependent hard X-ray photoemission spectroscopy
by: Kumar, Prabhat, et al.
Published: (2025)

ProvMind: Provenance-grounded reasoning for materials synthesis
by: Zhang, Yiming, et al.
Published: (2026)

Bain distortion of noble metal thin films that exhibit fcc, bct, and reoriented fcc structures
by: Ono, Shota, et al.
Published: (2024)

Rapid, Comprehensive Search of Crystalline Phases from X-ray Diffraction in Seconds via GPU-Accelerated Bayesian Variational Inference
by: Murakami, Ryo, et al.
Published: (2025)

Emergence of ferroelectric topological insulator as verified by quantum Hall effect of surface states in (Sn,Pb,In)Te films
by: Yoshimi, Ryutaro, et al.
Published: (2024)

Update of $\mathcal{H}Φ$: Newly added functions and methods in versions 2 and 3
by: Ido, Kota, et al.
Published: (2023)

Physics-informed Machine Learning Analysis for Nanoscale Grain Mapping by Synchrotron Laue Microdiffraction
by: Chan, Ka Hung, et al.
Published: (2025)

GPU-Portable Real-Space Density Functional Theory Implementation on Unified-Memory Architectures
by: Ito, Atsushi M.
Published: (2025)

Portable diamond maser with reduced magnetic field through orientation
by: Ng, Wern, et al.
Published: (2024)

Surface structure of the 3x3-Si phase on Al(111), studied by the multiple usages of positron diffraction and core-level photoemission spectroscopy
by: Sato, Yusuke, et al.
Published: (2024)

Qcforever2: Advanced Automation of Quantum Chemistry Computations
by: Masato Sumita, et al.
Published: (2025)

Emittance Minimization for Aberration Correction II: Physics-informed Bayesian Optimization of an Electron Microscope
by: Ma, Desheng, et al.
Published: (2024)

Observation of spin splitting in the surface electronic structure of antiferromagnet NdBi
by: Yamamoto, Rikako, et al.
Published: (2025)

Visualization of spin-polarized electronic states by imaging-type spin-resolved photoemission microscopy
by: Yaji, Koichiro, et al.
Published: (2023)