Cover Image

Universal materials model of deep-learning density functional theory Hamiltonian

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Wang, Yuxiang, Li, Yang, Tang, Zechen, Li, He, Yuan, Zilong, Tao, Honggeng, Zou, Nianlong, Bao, Ting, Liang, Xinghao, Chen, Zezhou, Xu, Shanghua, Bian, Ce, Xu, Zhiming, Wang, Chong, Si, Chen, Duan, Wenhui, Xu, Yong
Format:	Preprint
Published:	2024
Subjects:	Computational Physics Materials Science
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

DeepH-2: Enhancing deep-learning electronic structure via an equivariant local-coordinate transformer
by: Wang, Yuxiang, et al.
Published: (2024)

Improving density matrix electronic structure method by deep learning
by: Tang, Zechen, et al.
Published: (2024)

Deep learning density functional theory Hamiltonian in real space
by: Yuan, Zilong, et al.
Published: (2024)

Neural-network Density Functional Theory Based on Variational Energy Minimization
by: Li, Yang, et al.
Published: (2024)

Equivariant Neural Network Force Fields for Magnetic Materials
by: Yuan, Zilong, et al.
Published: (2024)

DeepH-pack: A general-purpose neural network package for deep-learning electronic structure calculations
by: Li, Yang, et al.
Published: (2026)

Deep-Learning Database of Density Functional Theory Hamiltonians for Twisted Materials
by: Bao, Ting, et al.
Published: (2024)

Deep-learning density functional perturbation theory
by: Li, He, et al.
Published: (2024)

Deep Band Crossings Enhanced Nonlinear Optical Effects
by: Zou, Nianlong, et al.
Published: (2024)

Enhancement of Ising superconductivity in monolayer NbSe$_2$ via surface fluorination
by: Wu, Jizheng, et al.
Published: (2024)

Manipulating Charge Distribution in Moiré Superlattices by Light
by: Guo, Ruiping, et al.
Published: (2026)

Stable magic angle in twisted Kane-Mele materials
by: Xu, Cheng, et al.
Published: (2024)

Stabilizing fractional Chern insulators via exchange interaction in moiré systems
by: Shen, Xiaoyang, et al.
Published: (2024)

Corriendo por Beijing / Xu Zechen ; traducción al español de María Andrea Giovine
by: Zechen, Xu

Corriendo por Beijing / Xu Zechen ; traducción al español de María Andrea Giovine ; corrector Jia Zechi
by: Zechen, Xu

Optimal Pore Structure in Mesoporous MOFs for Selective Separation of Natural Bioactive Astaxanthin With Record Adsorption Capacity
by: Xu Wang, et al.
Published: (2025)

Chiral magnetism in lithium-decorated monolayer CrTe$_{2}$: Interplay between Dzyaloshinskii-Moriya interaction and higher-order interactions
by: Pan, Weiyi, et al.
Published: (2023)

ConvConcatNet: a deep convolutional neural network to reconstruct mel spectrogram from the EEG
by: Xu, Xiran, et al.
Published: (2024)

Fractional Chern insulators in moiré flat bands with high Chern numbers
by: Wang, Chonghao, et al.
Published: (2024)

Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models
by: Wang, Zun, et al.
Published: (2024)

Pest Recognition and Classification Using Hybrid Quantum Convolution and Diverse Branch Block
by: Zhuxiang Mo, et al.
Published: (2025)

Inside Back Cover: Biomass‐based materials for advanced supercapacitor: principles, progress, and perspectives
by: Yaxuan Wang, et al.
Published: (2024)

Residue Theorem, Regularization and Parity Theorem
by: Li, Jia, et al.
Published: (2026)

Contour Integrations and Parity Results of Cyclotomic Euler $T$-Sums and Multiple $t$-Values
by: Wang, Zhenlu, et al.
Published: (2025)

Chiral superconductivity from spin polarized Chern band in twisted MoTe$_2$
by: Xu, Cheng, et al.
Published: (2025)

Design and Functionalization of Lignocellulose‐Derived Silicon‐Carbon Composites for Rechargeable Batteries (Adv. Energy Mater. 46/2024)
by: Wei Li, et al.
Published: (2024)

Contour Integration and Cyclotomic Apéry-Like Series Involving Generalized Binomial Coefficients
by: Xu, Ce
Published: (2025)

On the Proof of the Genčev-Rucki Conjecture for Multiple Apéry-Like Series
by: Xu, Ce
Published: (2025)

Symmetry Results for Cyclotomic Multiple Hurwitz Zeta Values via Contour Integrals
by: Xu, Ce
Published: (2026)

The Parity of Two Types of Cyclotomic Euler Sums via Contour Integrals
by: Xu, Ce
Published: (2025)

Transfer learning electronic structure: millielectron volt accuracy for sub-million-atom moiré semiconductor
by: Bao, Ting, et al.
Published: (2025)

Long-Range Spin-Orbit-Coupled Magnetoelectricity in Type-II Multiferroic NiI$_2$
by: Pan, Weiyi, et al.
Published: (2025)

Co-Seg++: Mutual Prompt-Guided Collaborative Learning for Versatile Medical Segmentation
by: Xu, Qing, et al.
Published: (2025)

Exciton-roton mode in moiré fractional Chern insulators
by: Shen, Xiaoyang, et al.
Published: (2026)

The convergence of inversive distance circle packings to the Riemann mapping
by: Chen, Yuxiang, et al.
Published: (2022)

Physics-informed deep operator network for traffic state estimation
by: Li, Zhihao, et al.
Published: (2025)

Variability in Disease Severity in Siblings With Homozygous Missense Variant of ADSSL1: Clinical Genetic Study and Review of Literatures
by: Hui Wang, et al.
Published: (2024)

Residual Policy Gradient: A Reward View of KL-regularized Objective
by: Wang, Pengcheng, et al.
Published: (2025)

CARoL: Context-aware Adaptation for Robot Learning
by: Hu, Zechen, et al.
Published: (2025)

Moisture conditions are limiting evapotranspiration changes of Alpine mountains of Qilian Mountains
by: Yunying Wang, et al.
Published: (2024)