Saved in:
| Main Authors: | Qin, Xuejian, Lv, Taoyuze, Zhong, Zhicheng |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2508.04052 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Chemical-space completeness: a new strategy for crystalline materials exploration
by: Xie, Fengyu, et al.
Published: (2025)
by: Xie, Fengyu, et al.
Published: (2025)
AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
by: Lv, Taoyuze, et al.
Published: (2025)
by: Lv, Taoyuze, et al.
Published: (2025)
Efficient real space formalism for hybrid density functionals
by: Jing, Xin, et al.
Published: (2024)
by: Jing, Xin, et al.
Published: (2024)
Deep learning density functional theory Hamiltonian in real space
by: Yuan, Zilong, et al.
Published: (2024)
by: Yuan, Zilong, et al.
Published: (2024)
Embedding theory contributions to average atom models for warm dense matter
by: Yunus, Sameen, et al.
Published: (2024)
by: Yunus, Sameen, et al.
Published: (2024)
T-MSD: An improved method for ionic diffusion coefficient calculation from molecular dynamics
by: Gao, Yuxiang, et al.
Published: (2025)
by: Gao, Yuxiang, et al.
Published: (2025)
Efficient E(3)-equivariant framework for universal charge density prediction
by: Li, Xiwen, et al.
Published: (2025)
by: Li, Xiwen, et al.
Published: (2025)
DPA-2: a large atomic model as a multi-task learner
by: Zhang, Duo, et al.
Published: (2023)
by: Zhang, Duo, et al.
Published: (2023)
opt-DDAP: Optimisable density-derived atomic point charges via automatic differentiation
by: H., Mohith, et al.
Published: (2026)
by: H., Mohith, et al.
Published: (2026)
Pre-training, fine-tuning, and distillation (PFD): Automatically generating machine learning force fields from universal models
by: Wang, Ruoyu, et al.
Published: (2025)
by: Wang, Ruoyu, et al.
Published: (2025)
Uncovering coupled ionic-polaronic dynamics and interfacial enhancement in Li$_x$FePO$_4$
by: Xie, Fengyu, et al.
Published: (2025)
by: Xie, Fengyu, et al.
Published: (2025)
Active learning of effective Hamiltonian for super-large-scale atomic structures
by: Ma, Xingyue, et al.
Published: (2023)
by: Ma, Xingyue, et al.
Published: (2023)
General time-reversal equivariant neural network potential for magnetic materials
by: Yu, Hongyu, et al.
Published: (2022)
by: Yu, Hongyu, et al.
Published: (2022)
Spectral scheme for atomic structure calculations in density functional theory
by: Bhowmik, Sayan, et al.
Published: (2024)
by: Bhowmik, Sayan, et al.
Published: (2024)
Understanding chiral charge-density wave by frozen chiral phonon
by: Zhang, Shuai, et al.
Published: (2024)
by: Zhang, Shuai, et al.
Published: (2024)
DeepH-2: Enhancing deep-learning electronic structure via an equivariant local-coordinate transformer
by: Wang, Yuxiang, et al.
Published: (2024)
by: Wang, Yuxiang, et al.
Published: (2024)
Finite-element methods for noncollinear magnetism and spin-orbit coupling in real-space pseudopotential density functional theory
by: Kodali, Nikhil, et al.
Published: (2024)
by: Kodali, Nikhil, et al.
Published: (2024)
Machine learning potential for predicting thermal conductivity of θ-phase and amorphous Tantalum Nitride
by: Zong, Zhicheng, et al.
Published: (2025)
by: Zong, Zhicheng, et al.
Published: (2025)
Undamped Soliton-like Domain Wall Motion in Sliding Ferroelectrics
by: Shi, Yubai, et al.
Published: (2025)
by: Shi, Yubai, et al.
Published: (2025)
Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks
by: Bochkarev, Anton, et al.
Published: (2026)
by: Bochkarev, Anton, et al.
Published: (2026)
Real-space Hubbard-corrected density functional theory
by: Bhowmik, Sayan, et al.
Published: (2025)
by: Bhowmik, Sayan, et al.
Published: (2025)
Dielectric tensor of perovskite oxides at finite temperature using equivariant graph neural network potentials
by: Kutana, Alex, et al.
Published: (2024)
by: Kutana, Alex, et al.
Published: (2024)
Ultrafast electrically controlled magnetism in charge-order-induced ferroelectric altermagnet
by: Gu, Yuhao, et al.
Published: (2026)
by: Gu, Yuhao, et al.
Published: (2026)
Learning charges and long-range interactions from energies and forces
by: Kim, Dongjin, et al.
Published: (2024)
by: Kim, Dongjin, et al.
Published: (2024)
Hot-Ham: an accurate and efficient E(3)-equivariant machine-learning electronic structures calculation framework
by: Liang, Zhixin, et al.
Published: (2025)
by: Liang, Zhixin, et al.
Published: (2025)
Novel 2D vanadium sulphides: synthesis, atomic structure engineering and charge density waves
by: van Efferen, Camiel, et al.
Published: (2023)
by: van Efferen, Camiel, et al.
Published: (2023)
Electron charge dynamics and charge separation: A response theory approach
by: Lacombe, Lionel, et al.
Published: (2025)
by: Lacombe, Lionel, et al.
Published: (2025)
Designing explicit functionals for the charge density in terms of a potential
by: Güneş, Muhammed Hüseyin, et al.
Published: (2026)
by: Güneş, Muhammed Hüseyin, et al.
Published: (2026)
Anomalous charge density wave in altermagnetism
by: Ding, Zi-Hao, et al.
Published: (2025)
by: Ding, Zi-Hao, et al.
Published: (2025)
Compressing and forecasting atomic material simulations with descriptors
by: Swinburne, Thomas D
Published: (2023)
by: Swinburne, Thomas D
Published: (2023)
Exploring parameter dependence of atomic minima with implicit differentiation
by: Maliyov, Ivan, et al.
Published: (2024)
by: Maliyov, Ivan, et al.
Published: (2024)
Ferromagnetic semimetal and charge-density wave phases of interacting electrons in a honeycomb moiré potential
by: Yang, Yubo, et al.
Published: (2024)
by: Yang, Yubo, et al.
Published: (2024)
Shining light on short-range atomic ordering in semiconductors alloys
by: Attiaoui, Anis, et al.
Published: (2026)
by: Attiaoui, Anis, et al.
Published: (2026)
Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe$_2$
by: Benić, Luka, et al.
Published: (2025)
by: Benić, Luka, et al.
Published: (2025)
Scaling atom-by-atom inverse design with nano-topology optimization and diffusion models
by: Chen, Chun-Teh, et al.
Published: (2026)
by: Chen, Chun-Teh, et al.
Published: (2026)
Giant magnetic anisotropy of Pb atoms in 3d-based magnets
by: Xia, Weiyi, et al.
Published: (2024)
by: Xia, Weiyi, et al.
Published: (2024)
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
by: Bosoni, Emanuele, et al.
Published: (2023)
by: Bosoni, Emanuele, et al.
Published: (2023)
A follow-up on the sulphur atom popping model for MoS$_2$ memristor
by: Mitra, Sanchali, et al.
Published: (2025)
by: Mitra, Sanchali, et al.
Published: (2025)
Equivariant graph neural network surrogates for predicting the properties of relaxed atomic configurations
by: Holber, Jamie, et al.
Published: (2025)
by: Holber, Jamie, et al.
Published: (2025)
Unsupervised learning of representative local atomic arrangements in molecular dynamics data
by: Roncoroni, Fabrice, et al.
Published: (2023)
by: Roncoroni, Fabrice, et al.
Published: (2023)
Similar Items
-
Chemical-space completeness: a new strategy for crystalline materials exploration
by: Xie, Fengyu, et al.
Published: (2025) -
AtomWorld: A Benchmark for Evaluating Spatial Reasoning in Large Language Models on Crystalline Materials
by: Lv, Taoyuze, et al.
Published: (2025) -
Efficient real space formalism for hybrid density functionals
by: Jing, Xin, et al.
Published: (2024) -
Deep learning density functional theory Hamiltonian in real space
by: Yuan, Zilong, et al.
Published: (2024) -
Embedding theory contributions to average atom models for warm dense matter
by: Yunus, Sameen, et al.
Published: (2024)