Copertina

Quantum Machine Learning of Molecular Energies with Hybrid Quantum-Neural Wavefunction

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Li, Weitang, Zhang, Shi-Xin, Sheng, Zirui, Gong, Cunxi, Chen, Jianpeng, Shuai, Zhigang
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Quantum Physics Chemical Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Automated Unitary Coupled Cluster Circuit Design via Differentiable Quantum Architecture Search
di: Chen, Jianpeng, et al.
Pubblicazione: (2026)

Autonomous Quantum Simulation through Large Language Model Agents
di: Li, Weitang, et al.
Pubblicazione: (2026)

Optimal Tree Tensor Network Operators for Tensor Network Simulations: Applications to Open Quantum Systems
di: Li, Weitang, et al.
Pubblicazione: (2024)

A Hybrid Quantum Computing Pipeline for Real World Drug Discovery
di: Li, Weitang, et al.
Pubblicazione: (2024)

Towards chemical accuracy with shallow quantum circuits: A Clifford-based Hamiltonian engineering approach
di: Sun, Jiace, et al.
Pubblicazione: (2023)

Towards Improved Quantum Machine Learning for Molecular Force Fields
di: Couzinié, Yannick, et al.
Pubblicazione: (2025)

Efficient and Robust Parameter Optimization of the Unitary Coupled-Cluster Ansatz
di: Li, Weitang, et al.
Pubblicazione: (2024)

Unbiasing Fermionic Auxiliary-Field Quantum Monte Carlo with Matrix Product State Trial Wavefunctions
di: Jiang, Tong, et al.
Pubblicazione: (2024)

Bounds on a Wavefunction Overlap with Hamiltonian Eigen-states: Performance Guarantees for the Quantum Phase Estimation Algorithm
di: Lin, Junan, et al.
Pubblicazione: (2025)

Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE
di: Carreras, Abel, et al.
Pubblicazione: (2025)

A Further Comparison of MPS and TTNS for Nonadiabatic Dynamics of Exciton Dissociation
di: Li, Weitang, et al.
Pubblicazione: (2025)

Compactifying the Electronic Wavefunction II: Quantum Estimators for Spin-Coupled Generalized Valence Bond Wavefunctions Applied to H4
di: Gabrielly, Bruna
Pubblicazione: (2026)

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

Open Source Variational Quantum Eigensolver Extension of the Quantum Learning Machine (QLM) for Quantum Chemistry
di: Haidar, Mohammad, et al.
Pubblicazione: (2022)

QMCTorch: Molecular Wavefunctions with Neural Components for Energy and Force Calculations
di: Renaud, Nicolas
Pubblicazione: (2025)

Collective Quantum Entanglement in Molecular Cavity Optomechanics
di: Huang, Jian, et al.
Pubblicazione: (2024)

Neural Network Solution of Non-Markovian Quantum State Diffusion and Operator Construction of Quantum Stochastic Process
di: Zhang, Jiaji, et al.
Pubblicazione: (2025)

Hybrid Quantum--Classical Machine Learning Potential with Variational Quantum Circuits
di: Willow, Soohaeng Yoo, et al.
Pubblicazione: (2025)

Leveraging Machine Learning to Overcome Limitations in Quantum Algorithms
di: Sala, Laia Coronas, et al.
Pubblicazione: (2024)

Machine Learning Wavefunction
di: Battaglia, Stefano
Pubblicazione: (2022)

Neural Quantum States and Peaked Molecular Wave Functions: Curse or Blessing?
di: Malyshev, Aleksei, et al.
Pubblicazione: (2024)

Neural Quantum Propagators for Driven-Dissipative Quantum Dynamics
di: Zhang, Jiaji, et al.
Pubblicazione: (2024)

Multi-set variational quantum dynamics algorithm for simulating nonadiabatic dynamics on quantum computers
di: Li, Jingjing, et al.
Pubblicazione: (2025)

Quantum-Centric Alchemical Free Energy Calculations
di: Bazayeva, Milana, et al.
Pubblicazione: (2025)

Simulating Quantum Many-Body States with Neural-Network Exponential Ansatz
di: Zeng, Weillei, et al.
Pubblicazione: (2024)

A Deterministic Framework for Neural Network Quantum States in Quantum Chemistry
di: Che, Zheng
Pubblicazione: (2026)

An Oracle-Free Quantum Algorithm for Nonadiabatic Quantum Molecular Dynamics
di: Courtney, Joshua
Pubblicazione: (2026)

Correlation-Converged Virtual Orbitals for Accurate and Efficient Quantum Molecular Simulations
di: Wang, Qian, et al.
Pubblicazione: (2026)

Classically Prepared, Quantumly Evolved: Hybrid Algorithm for Molecular Spectra
di: Santini, Alessandro, et al.
Pubblicazione: (2025)

FragPT2: Multi-Fragment Wavefunction Embedding with Perturbative Interactions
di: Koridon, Emiel, et al.
Pubblicazione: (2024)

Variationally Compressing Quantum Circuits to Approximate Nonadiabatic Molecular Quantum Dynamics
di: Courtney, Joshua M., et al.
Pubblicazione: (2026)

Molecular Quantum Control Algorithm Design by Reinforcement Learning
di: Pipi, Anastasia, et al.
Pubblicazione: (2024)

Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning
di: Khan, Abid, et al.
Pubblicazione: (2024)

Qumode-Based Variational Quantum Eigensolver for Molecular Excited States
di: Dutta, Rishab, et al.
Pubblicazione: (2025)

Efficient Quantum Simulation of Non-Adiabatic Molecular Dynamics with Precise Electronic Structure
di: Li, Tianyi, et al.
Pubblicazione: (2025)

Neural Wavefunction Calculations of μSR Spectra with Quantum Muons and Protons
di: Carr, Jamie, et al.
Pubblicazione: (2026)

Benchmarking the Impact of Active Space Selection on the VQE Pipeline for Quantum Drug Discovery
di: Yin, Zhi, et al.
Pubblicazione: (2025)

Molecular Properties in Quantum-Classical Auxiliary-Field Quantum Monte Carlo: Correlated Sampling with Application to Accurate Nuclear Forces
di: Goings, Joshua J., et al.
Pubblicazione: (2025)

Application of Quantum Annealing to Computation of Molecular Properties
di: Sahoo, Pradyot Pritam, et al.
Pubblicazione: (2025)

The Quantum Ensemble Variational Optimization Algorithm: Applications to Molecular Inverse Design
di: Calcagno, Francesco, et al.
Pubblicazione: (2025)