Imagen de Portada

Permutation invariant multi-scale full quantum neural network wavefunction

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Cai, Pengzhen, Qian, Yubing, Deng, Li, Fu, Weizhong, Yang, Lei, Sun, Zhiyu, Li, Xin-Zheng, Wang, En-Ge, Chen, Liangwen, Ren, Weiluo, Chen, Ji
Formato:	Preprint
Publicado:	2026
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

A particle view of many-body electronic structure with neural network wavefunction
por: Wang, Zichen, et al.
Publicado: (2025)

Deep learning quantum Monte Carlo for solids
por: Qian, Yubing, et al.
Publicado: (2024)

Topological invariant of periodic many body wavefunction from charge pumping simulation
por: Chen, Haoxiang, et al.
Publicado: (2026)

Emergent Wigner phases in moiré superlattice from deep learning
por: Li, Xiang, et al.
Publicado: (2024)

Probing quantum critical phase from neural network wavefunction
por: Chen, Haoxiang, et al.
Publicado: (2024)

Symmetry enforced solution of the many-body Schrödinger equation with deep neural network
por: Li, Zhe, et al.
Publicado: (2024)

Local Pseudopotential Unlocks the True Potential of Neural Network-based Quantum Monte Carlo
por: Fu, Weizhong, et al.
Publicado: (2025)

Stochastic Representation of Time-Evolving Neural Network-based Wavefunctions
por: Huang, Bizi, et al.
Publicado: (2025)

Neural Scaling Laws Surpass Chemical Accuracy for the Many-Electron Schrödinger Equation
por: Jiang, Du, et al.
Publicado: (2025)

Electric Polarization from Many-Body Neural Network Ansatz
por: Li, Xiang, et al.
Publicado: (2023)

A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions
por: Goldshlager, Gil, et al.
Publicado: (2024)

Numerical investigation on mixing behaviour in the contact zone of an industrial‐scale dissolved air flotation tank
por: Xiuzhen Chen, et al.
Publicado: (2024)

Spin-Adapted Neural Network Wavefunctions in Real Space
por: Li, Ruichen, et al.
Publicado: (2025)

Geminal wavefunction models in chemistry
por: Gaikwad, Pratiksha, et al.
Publicado: (2026)

Deep Learning Quantum Monte Carlo for Solids
por: Yubing Qian, et al.
Publicado: (2025)

MesoHops: Size-invariant scaling calculations of multi-excitation open quantum systems
por: Citty, Brian, et al.
Publicado: (2024)

Simulating one hundred entangled atoms using projected-interacting full configuration interaction wavefunctions corrected by projected density functionals
por: Janesko, Benjamin G.
Publicado: (2025)

Accurate neural-network-based fitting of full-dimensional two-body potential energy surfaces
por: Finenko, Artem
Publicado: (2022)

A novel ensemble network based on CNN ‐ AM ‐ BiLSTM learner for temperature prediction of distillation columns
por: Jianji Ren, et al.
Publicado: (2025)

Analysis of divergent dynamics of exactly factorized electron-nuclear wavefunctions
por: Stetzler, Julian, et al.
Publicado: (2025)

Permutationally invariant polynomial regression for energies and gradients, using reverse differentiation, achieves orders of magnitude speed-up with high precision compared to other machine learning methods
por: Houston, Paul L., et al.
Publicado: (2021)

Maximum entropy distributions of wavefunctions at thermal equilibrium
por: Willson, Jacob T., et al.
Publicado: (2026)

An adding‐points strategy surrogate model for well control optimization based on radial basis function neural network
por: Hongwei Chen, et al.
Publicado: (2024)

Agentic Discovery of Exchange-Correlation Density Functionals
por: Duston, Titouan, et al.
Publicado: (2026)

QUEST\#4X: an extension of QUEST\#4 for benchmarking multireference wavefunction methods
por: Song, Yangyang, et al.
Publicado: (2024)

Exploring new construction schemes for extended-hierarchy CI (ehCI) wavefunctions
por: Lokhande, Rugwed A., et al.
Publicado: (2025)

Exact factorization of a many-body wavefunction beyond the electron-nuclear problem
por: Schürger, Peter, et al.
Publicado: (2026)

Improved Optimization for the Neural-network Quantum States and Tests on the Chromium Dimer
por: Li, Xiang, et al.
Publicado: (2024)

Hybrid tensor network and neural network quantum states for quantum chemistry
por: Wu, Zibo, et al.
Publicado: (2025)

Spin-adapted neural network backflow for strongly correlated electrons
por: Li, Yunzhi, et al.
Publicado: (2026)

Simulation of flow and heat transfer in high‐temperature and high‐pressure reservoir based on multi‐physical field coupling model at pore scale
por: Hongwei Chen, et al.
Publicado: (2024)

Sampling strategies for the Herman-Kluk propagator of the wavefunction
por: Kröninger, Fabian, et al.
Publicado: (2022)

Auxiliary many-body wavefunctions for TDDFRT electronic excited states: Consequences for the representation of molecular electronic transitions
por: Morere, Jérémy, et al.
Publicado: (2021)

Role of Qufeng Tongqiao Prescription in the protection of cerebral ischemia and associated molecular network mechanism
por: Xue Bai, et al.
Publicado: (2024)

Overfitting by design: neural network density functionals for water
por: El-Din, Karim K. Alaa, et al.
Publicado: (2026)

Fault diagnosis method for chemical processes based on variable correlation‐guided convolutional neural networks
por: Zhe Zhou, et al.
Publicado: (2025)

A hybrid AVOA ‐ BP neural network with SHAP ‐based interpretation for wax deposition rate prediction
por: Peixian Li, et al.
Publicado: (2026)

Dynamic electron correlation energy for multireference wavefunction methods from one- and two-electron reduced density matrices
por: Hapka, Michał, et al.
Publicado: (2026)

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking
por: Foster, Adam, et al.
Publicado: (2025)

Convolutional neural network approach to ion Coulomb crystal image analysis
por: Allsopp, James, et al.
Publicado: (2025)