Imagen de Portada

A neural network-based four-body potential energy surface for parahydrogen

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Ibrahim, Alexander, Roy, Pierre-Nicholas
Formato:	Preprint
Publicado:	2025
Materias:	Chemical Physics
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Three-body potential energy surface for parahydrogen
por: Ibrahim, Alexander, et al.
Publicado: (2025)

Path-integral Monte Carlo simulations of solid parahydrogen using two-body, three-body, and four-body ab initio interaction potential energy surfaces
por: Ibrahim, Alexander, et al.
Publicado: (2025)

Equation of state of solid parahydrogen using ab initio two-body and three-body interaction potentials
por: Ibrahim, Alexander, et al.
Publicado: (2025)

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

Live magnetic observation of parahydrogen hyperpolarization dynamics
por: Eills, James, et al.
Publicado: (2024)

Symmetry constraints on spin order transfer in parahydrogen-induced polarization (PHIP)
por: Pravdivtsev, Andrey N., et al.
Publicado: (2021)

Ground and low-lying excited state potential energy surfaces of diiodomethane in four dimensions
por: Ding, Yijue
Publicado: (2025)

Equation of State and First Principles Prediction of the Vibrational Matrix Shift of Solid Parahydrogen
por: Ibrahim, Alexander, et al.
Publicado: (2025)

Upscaling the hyperpolarization sample volume of an automated hydrogenative parahydrogen-induced polarizer
por: Gökpek, Yenal, et al.
Publicado: (2025)

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

Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
por: Tokita, Alea Miako, et al.
Publicado: (2025)

Assessing many-body methods on the potential energy surface of the (H$_2$)$_2$ hydrogen dimer
por: Contant, Damian, et al.
Publicado: (2024)

Force training neural network potential energy surface models
por: Christian Devereux, et al.
Publicado: (2024)

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

Selectively pulsed spin order transfer increases parahydrogen-induced NMR amplification of insensitive nuclei and makes polarization transfer more robust
por: Schmidt, Andreas B., et al.
Publicado: (2021)

Complex potential energy surfaces: gradients with projected CAP technique
por: Mondal, Soubhik, et al.
Publicado: (2025)

Kinetic study of the CN + C2H6 hydrogen abstraction reaction based on an analytical potential energy surface
por: Espinosa-Garcia, Joaquin, et al.
Publicado: (2023)

Vibrational infrared and Raman spectra of the methanol molecule with equivariant neural-network property surfaces
por: Sunaga, Ayaki, et al.
Publicado: (2026)

Qubit encodings for lattices of dipolar planar rotors
por: Moeed, Muhammad Shaeer, et al.
Publicado: (2025)

Performance assessment of the effective core potentials under the Fermionic neural network: first and second row elements
por: Wang, Mengsa, et al.
Publicado: (2024)

Assessing zero-shot generalisation behaviour in graph-neural-network interatomic potentials
por: Mahmoud, Chiheb Ben, et al.
Publicado: (2025)

Universal neural network potentials as descriptors: Towards scalable chemical property prediction using quantum and classical computers
por: Shiota, Tomoya, et al.
Publicado: (2024)

Structure and dynamics of the magnetite(001)/water interface from molecular dynamics simulations based on a neural network potential
por: Romano, Salvatore, et al.
Publicado: (2024)

Ultrafast photodissociation dynamics of dichloromethane on three-dimensional potential energy surfaces and its Coulomb explosion signature
por: Ding, Yijue
Publicado: (2025)

Modeling the coincident three-ion momentum imaging of diiodomethane photodissociation on reduced-dimensional potential energy surfaces
por: Ding, Yijue
Publicado: (2025)

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

Systematically improved potential energy surfaces via sinNN models and sparse grid sampling
por: Aerts, Antoine
Publicado: (2025)

Engineering molecular potential energy surfaces using magnetic cavity quantum electrodynamics
por: Weber, Lukas, et al.
Publicado: (2026)

Quantum Gaussian process model of potential energy surface for a polyatomic molecule
por: Dai, Jun, et al.
Publicado: (2022)

Bound and autoionizing potential energy curves in the CH molecule
por: Hvizdos, David, et al.
Publicado: (2023)

Thermophysical properties of argon gas from improved two-body interaction potential
por: Lang, Jakub, et al.
Publicado: (2023)

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

Permutation invariant multi-scale full quantum neural network wavefunction
por: Cai, Pengzhen, et al.
Publicado: (2026)

Investigating the hyperparameter space of deep neural network models for reaction coordinates
por: Kawashima, Kyohei, et al.
Publicado: (2024)

Multi-fidelity learning for interatomic potentials: Low-level forces and high-level energies are all you need
por: Messerly, Mitchell, et al.
Publicado: (2025)

Quantum criticality in chains of planar rotors with dipolar interactions
por: Serwatka, Tobias, et al.
Publicado: (2024)

Zero-energy band observation in an interfacial chalcogen-organic network
por: Jin, Yichen, et al.
Publicado: (2025)

Exact quantum dynamics of methanol: full-dimensional ab initio potential energy surface of spectroscopic quality and variational vibrational states
por: Sunaga, Ayaki, et al.
Publicado: (2025)

Spectral convergence of sum-of-Gaussians tensor neural networks for many-electron Schrödinger equation
por: Wu, Teng, et al.
Publicado: (2026)

Relativistic fully self-consistent $GW$ for molecules: Total energies and ionization potentials
por: Abraham, Vibin, et al.
Publicado: (2024)