Efficient optimization of neural network backflow for ab-initio quantum chemistry
Fuente:
arXiv
Guardado en:
| Autores principales: | Liu, An-Jun, Clark, Bryan K. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Neural network backflow for ab-initio quantum chemistry
por: Liu, An-Jun, et al.
Publicado: (2024)
por: Liu, An-Jun, et al.
Publicado: (2024)
Neural network backflow for ab-initio solid calculations
por: Liu, An-Jun, et al.
Publicado: (2026)
por: Liu, An-Jun, et al.
Publicado: (2026)
Unifying view of fermionic neural network quantum states: From neural network backflow to hidden fermion determinant states
por: Liu, Zejun, et al.
Publicado: (2023)
por: Liu, Zejun, et al.
Publicado: (2023)
Max-Cut graph-driven quantum circuit design for planar spin glasses
por: Ghasempouri, Seyed Ehsan, et al.
Publicado: (2025)
por: Ghasempouri, Seyed Ehsan, et al.
Publicado: (2025)
Annealing for prediction of grand canonical crystal structures: Efficient implementation of n-body atomic interactions
por: Couzinie, Yannick, et al.
Publicado: (2023)
por: Couzinie, Yannick, et al.
Publicado: (2023)
A Global Spacetime Optimization Approach to the Real-Space Time-Dependent Schrödinger Equation
por: Hou, Enze, et al.
Publicado: (2025)
por: Hou, Enze, et al.
Publicado: (2025)
Efficiency of neural-network state representations of one-dimensional quantum spin systems
por: Pan, Ruizhi, et al.
Publicado: (2023)
por: Pan, Ruizhi, et al.
Publicado: (2023)
Neural network distillation of orbital dependent density functional theory
por: Medvidović, Matija, et al.
Publicado: (2024)
por: Medvidović, Matija, et al.
Publicado: (2024)
Best practices for second-generation Car-Parrinello ab initio molecular dynamics with CP2K/Quickstep
por: Kühne, Thomas D.
Publicado: (2026)
por: Kühne, Thomas D.
Publicado: (2026)
Transfer tensor analysis of localization in the Anderson and Aubry-André-Harper models
por: Anderson, Michelle C., et al.
Publicado: (2025)
por: Anderson, Michelle C., et al.
Publicado: (2025)
Collectively-modified inter-molecular electron correlations: The connection of polaritonic chemistry and spin glass physics
por: Sidler, Dominik, et al.
Publicado: (2024)
por: Sidler, Dominik, et al.
Publicado: (2024)
Adiabatic transport of neural network quantum states
por: Medvidović, Matija, et al.
Publicado: (2025)
por: Medvidović, Matija, et al.
Publicado: (2025)
Entanglement and optimization within autoregressive neural quantum states
por: Jreissaty, Andrew, et al.
Publicado: (2025)
por: Jreissaty, Andrew, et al.
Publicado: (2025)
Optimal storage capacity of quantum Hopfield neural networks
por: Bödeker, Lukas, et al.
Publicado: (2022)
por: Bödeker, Lukas, et al.
Publicado: (2022)
Connectivity determines the capability of sparse neural network quantum states
por: Barton, Brandon, et al.
Publicado: (2025)
por: Barton, Brandon, et al.
Publicado: (2025)
Hierarchical quantum embedding by machine learning for large molecular assemblies
por: Bensberg, Moritz, et al.
Publicado: (2025)
por: Bensberg, Moritz, et al.
Publicado: (2025)
Efficient, Equivariant Predictions of Distributed Charge Models
por: Boittier, Eric D., et al.
Publicado: (2026)
por: Boittier, Eric D., et al.
Publicado: (2026)
Machine Learned Hückel Theory: Interfacing Physics and Deep Neural Networks
por: Zubatyuk, Tetiana, et al.
Publicado: (2019)
por: Zubatyuk, Tetiana, et al.
Publicado: (2019)
Instability of explicit time integration for strongly quenched dynamics with neural quantum states
por: Vrcan, Hrvoje, et al.
Publicado: (2025)
por: Vrcan, Hrvoje, et al.
Publicado: (2025)
Enhanced image classification via hybridizing quantum dynamics with classical neural networks
por: Zhou, Ruiyang, et al.
Publicado: (2025)
por: Zhou, Ruiyang, et al.
Publicado: (2025)
Hyperbolic recurrent neural network as the first type of non-Euclidean neural quantum state ansatz
por: Dao, H. L.
Publicado: (2025)
por: Dao, H. L.
Publicado: (2025)
Training the parametric interactions in an analog bosonic quantum neural network with Fock basis measurement
por: Dudas, Julien, et al.
Publicado: (2024)
por: Dudas, Julien, et al.
Publicado: (2024)
Amending CALPHAD databases using a neural network for predicting mixing enthalpy of liquids
por: Vincely, Clement, et al.
Publicado: (2025)
por: Vincely, Clement, et al.
Publicado: (2025)
On the interpretability of neural network decoders
por: Bödeker, Lukas, et al.
Publicado: (2025)
por: Bödeker, Lukas, et al.
Publicado: (2025)
Basis-free neural-network geminal and Jastrow factors for variational Monte Carlo
por: Kessler, Jan, et al.
Publicado: (2026)
por: Kessler, Jan, et al.
Publicado: (2026)
Quantum sequel of neural network training
por: Zhang, Hao, et al.
Publicado: (2025)
por: Zhang, Hao, et al.
Publicado: (2025)
Scalable Neural Quantum State based Kernel Polynomial Method for Optical Properties from the First Principle
por: Liu, Wei, et al.
Publicado: (2025)
por: Liu, Wei, et al.
Publicado: (2025)
Unified understanding of the breakdown of thermal mixing dynamic nuclear polarization: the role of temperature and radical concentration
por: Epasto, Ludovica M., et al.
Publicado: (2024)
por: Epasto, Ludovica M., et al.
Publicado: (2024)
Design Principles for Enhanced Quantum Transport with Site-Dependent Noise
por: Lawrence, Maggie, et al.
Publicado: (2026)
por: Lawrence, Maggie, et al.
Publicado: (2026)
Limitations of tensor network approaches for optimization and sampling: A comparison to quantum and classical Ising machines
por: Dziubyna, Anna Maria, et al.
Publicado: (2024)
por: Dziubyna, Anna Maria, et al.
Publicado: (2024)
Bound on entanglement in neural quantum states
por: Paul, Nisarga
Publicado: (2025)
por: Paul, Nisarga
Publicado: (2025)
Quantum-Enhanced Neural Exchange-Correlation Functionals
por: Sokolov, Igor O., et al.
Publicado: (2024)
por: Sokolov, Igor O., et al.
Publicado: (2024)
Simplicity of mean-field theories in neural quantum states
por: Trigueros, Fabian Ballar, et al.
Publicado: (2023)
por: Trigueros, Fabian Ballar, et al.
Publicado: (2023)
Machine Learning Enhanced Calculation of Quantum-Classical Binding Free Energies
por: Bensberg, Moritz, et al.
Publicado: (2025)
por: Bensberg, Moritz, et al.
Publicado: (2025)
Super diffusive length dependent thermal conductivity in one-dimensional materials with structural defects: longitudinal to transverse phonon scattering leads to $κ\propto L^{1/3}$ law
por: Burin, Alexander L.
Publicado: (2025)
por: Burin, Alexander L.
Publicado: (2025)
Collective excitations in Hydrogen across the pressure-induced transition from molecular to atomic fluid
por: Ilenkov, I. -M., et al.
Publicado: (2025)
por: Ilenkov, I. -M., et al.
Publicado: (2025)
ML-based Method for Solving the Microkinetic Model of Fischer-Tropsch Synthesis with Varying Catalyst/Reactor Parameters
por: Demchuk, Taras, et al.
Publicado: (2025)
por: Demchuk, Taras, et al.
Publicado: (2025)
RiD-kit: Software package designed to do enhanced sampling using reinforced dynamics
por: Fan, Jiahao, et al.
Publicado: (2024)
por: Fan, Jiahao, et al.
Publicado: (2024)
Linear-Scaling Potential-Free Data-Driven Molecular Dynamics for Arbitrary-Sized Water Clusters $(\text{H}_2\text{O})_n$
por: Yan, Hongyu, et al.
Publicado: (2024)
por: Yan, Hongyu, et al.
Publicado: (2024)
Thermal conductivity of aligned polymers with kinks
por: Parshin, Igor V., et al.
Publicado: (2026)
por: Parshin, Igor V., et al.
Publicado: (2026)
Ejemplares similares
-
Neural network backflow for ab-initio quantum chemistry
por: Liu, An-Jun, et al.
Publicado: (2024) -
Neural network backflow for ab-initio solid calculations
por: Liu, An-Jun, et al.
Publicado: (2026) -
Unifying view of fermionic neural network quantum states: From neural network backflow to hidden fermion determinant states
por: Liu, Zejun, et al.
Publicado: (2023) -
Max-Cut graph-driven quantum circuit design for planar spin glasses
por: Ghasempouri, Seyed Ehsan, et al.
Publicado: (2025) -
Annealing for prediction of grand canonical crystal structures: Efficient implementation of n-body atomic interactions
por: Couzinie, Yannick, et al.
Publicado: (2023)