Cover Image

Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Ohnishi, Masato, Deng, Tianqi, Torres, Pol, Xu, Zhihao, Tadano, Terumasa, Zhang, Haoming, Nong, Wei, Hanai, Masatoshi, Wang, Zeyu, Tian, Zhiting, Hu, Ming, Ruan, Xiulin, Yoshida, Ryo, Suzumura, Toyotaro, Lindsay, Lucas, McGaughey, Alan J. H., Luo, Tengfei, Hippalgaonkar, Kedar, Shiomi, Junichiro
Format:	Preprint
Published:	2025
Subjects:	Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Anharmonic phonon renormalization and thermal transport in the type-I Ba$_{\rm 8}$Ga$_{\rm 16}$Sn$_{\rm 30}$ clathrate from first principles
by: Ohnishi, Masato, et al.
Published: (2021)

Fast and Accurate Prediction of Lattice Thermal Conductivity via Machine Learning Surrogates
by: Wang, Zeyu, et al.
Published: (2026)

ContinuouSP: Generative Model for Crystal Structure Prediction with Invariance and Continuity
by: Tone, Yuji, et al.
Published: (2025)

High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
by: Xiao, Enda, et al.
Published: (2025)

Electron-phonon coupled Langevin dynamics for Mott insulators
by: Pohle, Rico, et al.
Published: (2025)

Modeling User Preferences as Distributions for Optimal Transport-Based Cross-Domain Recommendation under Non-Overlapping Settings
by: Xiao, Ziyin, et al.
Published: (2025)

A Prompting-Based Representation Learning Method for Recommendation with Large Language Models
by: Chen, Junyi, et al.
Published: (2024)

Accurate Screening of Functional Materials with Machine-Learning Potential and Transfer-Learned Regressions: Heusler Alloy Benchmark
by: Xiao, Enda, et al.
Published: (2025)

WyCryst: Wyckoff Inorganic Crystal Generator Framework
by: Zhu, Ruiming, et al.
Published: (2023)

Graph Adapter of EEG Foundation Models for Parameter Efficient Fine Tuning
by: Suzumura, Toyotaro, et al.
Published: (2024)

From Votes to Volatility Predicting the Stock Market on Election Day
by: Azevedo, Igor L. R., et al.
Published: (2024)

GEFM: Graph-Enhanced EEG Foundation Model
by: Wang, Limin, et al.
Published: (2024)

ARIM-mdx Data System: Towards a Nationwide Data Platform for Materials Science
by: Hanai, Masatoshi, et al.
Published: (2024)

Navigating Order-(Dis)Order Family Trees via Group-Subgroup Transitions
by: Yamazaki, Shuya, et al.
Published: (2026)

A Look Into News Avoidance Through AWRS: An Avoidance-Aware Recommender System
by: Azevedo, Igor L. R., et al.
Published: (2024)

Memory Is All You Need: An Overview of Compute-in-Memory Architectures for Accelerating Large Language Model Inference
by: Wolters, Christopher, et al.
Published: (2024)

NewsReX: A More Efficient Approach to News Recommendation with Keras 3 and JAX
by: Azevedo, Igor L. R., et al.
Published: (2025)

GIANT - Global Path Integration and Attentive Graph Networks for Multi-Agent Trajectory Planning
by: Sejersen, Jonas le Fevre, et al.
Published: (2026)

Popular News Always Compete for the User's Attention! POPK: Mitigating Popularity Bias via a Temporal-Counterfactual
by: Azevedo, Igor L. R., et al.
Published: (2024)

Continuous crossover between insulating ferroelectrics and the polar metals: \textit{Ab initio} calculation of structural phase transitions of Li$B$O$_3$ ($B$ = Ta, W, Re, Os)
by: Masuki, Ryota, et al.
Published: (2024)

Chemical-substitution-driven giant anomalous Hall and Nernst effects in magnetic cubic Heusler compounds
by: Xing, Guangzong, et al.
Published: (2023)

Multi-property directed generative design of inorganic materials through Wyckoff-augmented transfer learning
by: Yamazaki, Shuya, et al.
Published: (2025)

Suppression of Thin-Film Thermal Conductivity due to Surface Roughness
by: Morita, Michimasa, et al.
Published: (2025)

Stealth by Conformity: Evading Robust Aggregation through Adaptive Poisoning
by: McGaughey, Ryan, et al.
Published: (2025)

Beyond Spatio-Temporal Representations: Evolving Fourier Transform for Temporal Graphs
by: Bastos, Anson, et al.
Published: (2024)

Multimodal Point-of-Interest Recommendation
by: Kanzawa, Yuta, et al.
Published: (2024)

Wyckoff Transformer: Generation of Symmetric Crystals
by: Kazeev, Nikita, et al.
Published: (2025)

A Study of Faculty Data Curation Behaviors and Attitudes at a Teaching-Centered University
by: Scaramozzino, Jeanine Marie, et al.
Published: (2012)

SymCERE: Symmetric Contrastive Learning for Robust Review-Enhanced Recommendation
by: Suzumura, Toyotaro, et al.
Published: (2025)

SWORD: Symmetry and Wyckoff-sequence of Ordered and Disordered crystals
by: Huang, Yuyao, et al.
Published: (2026)

Virp: neural network-accelerated prediction of physical properties in site-disordered materials
by: Chen, Andy Paul, et al.
Published: (2026)

Coherent control through phonon anharmonicity
by: Scharf, Gili, et al.
Published: (2025)

Conductivity of an electron coupled to anharmonic phonons
by: Fetherolf, Jonathan H., et al.
Published: (2022)

Inside Front Cover, Volume 4, Number 4, October 2025
by: Jiaxing Shen, et al.
Published: (2025)

Optimizing Metamaterial Inverse Design with 3D Conditional Diffusion Model and Data Augmentation
by: Xiaoyang Zheng, et al.
Published: (2025)

Finite-Temperature $\textit{ab initio}$ Structural Optimization of the Bilayer Nickelate Superconductor La$_3$Ni$_2$O$_7$
by: Asai, Ryoma, et al.
Published: (2025)

Benchmarking phonon anharmonicity in machine learning interatomic potentials
by: Bandi, Sasaank, et al.
Published: (2024)

Ab initio Derivation of Low-Energy Hamiltonians for Systems with Strong Spin-Orbit Interaction and Its Application to Ca5Ir3O12
by: Charlebois, Maxime, et al.
Published: (2021)

Chapter 5 Historical overview of lesson study
by: Ishii, Terumasa
Published: (2020)

Emergence of Superconductivity at 20 K in Th$_3$P$_4$-type In$_{3-x}$S$_4$ Synthesized by Diamond Anvil Cell with Boron-doped Diamond Electrodes
by: Matsumoto, Ryo, et al.
Published: (2024)