Classical Pre-optimization Approach for ADAPT-VQE: Maximizing the Potential of High-Performance Computing Resources to Improve Quantum Simulation of Chemical Applications
Fuente:
arXiv
Guardado en:
| Autores principales: | Mullinax, J. Wayne, Anastasiou, Panagiotis G., Larson, Jeffrey, Economou, Sophia E., Tubman, Norm M. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2024
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Beyond MP2 initialization for unitary coupled cluster quantum circuits
por: Hirsbrunner, Mark R., et al.
Publicado: (2023)
por: Hirsbrunner, Mark R., et al.
Publicado: (2023)
Reducing the Resources Required by ADAPT-VQE Using Coupled Exchange Operators and Improved Subroutines
por: Ramôa, Mafalda, et al.
Publicado: (2024)
por: Ramôa, Mafalda, et al.
Publicado: (2024)
TETRIS-ADAPT-VQE: An adaptive algorithm that yields shallower, denser circuit ansätze
por: Anastasiou, Panagiotis G., et al.
Publicado: (2022)
por: Anastasiou, Panagiotis G., et al.
Publicado: (2022)
Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model
por: Gustafson, Erik, et al.
Publicado: (2024)
por: Gustafson, Erik, et al.
Publicado: (2024)
$Δ$ADAPT-VQE: Toward Accurate Calculation of Excitation Energies on Quantum Computers for BODIPY Molecules With Application in Photodynamic Therapy
por: Nykänen, Anton, et al.
Publicado: (2024)
por: Nykänen, Anton, et al.
Publicado: (2024)
Pruned-ADAPT-VQE: compacting molecular ansätze by removing irrelevant operators
por: Vaquero-Sabater, Nonia, et al.
Publicado: (2025)
por: Vaquero-Sabater, Nonia, et al.
Publicado: (2025)
Surrogate optimization of variational quantum circuits
por: Gustafson, Erik J., et al.
Publicado: (2024)
por: Gustafson, Erik J., et al.
Publicado: (2024)
Shot-Efficient ADAPT-VQE via Reused Pauli Measurements and Variance-Based Shot Allocation
por: Ikhtiarudin, Azhar, et al.
Publicado: (2025)
por: Ikhtiarudin, Azhar, et al.
Publicado: (2025)
Quantum Hardware-Enabled Molecular Dynamics via Transfer Learning
por: Khan, Abid, et al.
Publicado: (2024)
por: Khan, Abid, et al.
Publicado: (2024)
Geo-ADAPT-VQE: Quantum Information Metric-Aware Circuit Optimization for Quantum Chemistry
por: Sohail, Mohammad Aamir, et al.
Publicado: (2026)
por: Sohail, Mohammad Aamir, et al.
Publicado: (2026)
Strategies for Overcoming Gradient Troughs in the ADAPT-VQE Algorithm
por: Stadelmann, Jonas, et al.
Publicado: (2025)
por: Stadelmann, Jonas, et al.
Publicado: (2025)
Floquet-ADAPT-VQE: A Quantum Algorithm to Simulate Non-Equilibrium Physics in Periodically Driven Systems
por: Kumar, Abhishek, et al.
Publicado: (2025)
por: Kumar, Abhishek, et al.
Publicado: (2025)
Non-Clifford diagonalization for measurement shot reduction in quantum expectation value estimation
por: Sawaya, Nicolas P. D., et al.
Publicado: (2024)
por: Sawaya, Nicolas P. D., et al.
Publicado: (2024)
Bayesian Optimization Priors for Efficient Variational Quantum Algorithms
por: Sorourifar, Farshud, et al.
Publicado: (2024)
por: Sorourifar, Farshud, et al.
Publicado: (2024)
Integrating Classical and Quantum Software for Enhanced Simulation of Realistic Chemical Systems
por: Shiota, Tomoya, et al.
Publicado: (2025)
por: Shiota, Tomoya, et al.
Publicado: (2025)
Limitations of Quantum Hardware for Molecular Energy Estimation Using VQE
por: Carreras, Abel, et al.
Publicado: (2025)
por: Carreras, Abel, et al.
Publicado: (2025)
Constructing Compact ADAPT Unitary Coupled-Cluster Ansatz with Parameter-Based Criterion
por: He, Runhong, et al.
Publicado: (2026)
por: He, Runhong, et al.
Publicado: (2026)
Towards Efficient Quantum Computation of Molecular Ground State Energies using Bayesian Optimization with Priors over Surface Topology
por: Sorourifar, Farshud, et al.
Publicado: (2024)
por: Sorourifar, Farshud, et al.
Publicado: (2024)
Minimizing state preparation times in pulse-level variational molecular simulations
por: Asthana, Ayush, et al.
Publicado: (2022)
por: Asthana, Ayush, et al.
Publicado: (2022)
Benchmarking the Impact of Active Space Selection on the VQE Pipeline for Quantum Drug Discovery
por: Yin, Zhi, et al.
Publicado: (2025)
por: Yin, Zhi, et al.
Publicado: (2025)
Folded Spectrum VQE : A quantum computing method for the calculation of molecular excited states
por: Tazi, Lila Cadi, et al.
Publicado: (2023)
por: Tazi, Lila Cadi, et al.
Publicado: (2023)
Size-consistency and orbital-invariance issues revealed by VQE-UCCSD calculations with the FMO scheme
por: Sugisaki, Kenji, et al.
Publicado: (2024)
por: Sugisaki, Kenji, et al.
Publicado: (2024)
Computer Simulation of the Growth of a Metal-Organic Framework Proto-crystal at Constant Chemical Potential
por: Gargari, Sahar Andarzi, et al.
Publicado: (2025)
por: Gargari, Sahar Andarzi, et al.
Publicado: (2025)
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
por: Verma, Shreya, et al.
Publicado: (2025)
por: Verma, Shreya, et al.
Publicado: (2025)
Distributed Quantum Computing for Chemical Applications
por: Jones, Grier M., et al.
Publicado: (2024)
por: Jones, Grier M., et al.
Publicado: (2024)
Can a Quantum Computer Simulate Nuclear Magnetic Resonance Spectra Better than a Classical One?
por: Fratus, Keith R., et al.
Publicado: (2025)
por: Fratus, Keith R., et al.
Publicado: (2025)
NMR Chemical Shift Computations at Second-Order Møller-Plesset Perturbation Theory Using Gauge-Including Atomic Orbitals and Cholesky-Decomposed Two-Electron Integrals
por: Burger, Sophia, et al.
Publicado: (2021)
por: Burger, Sophia, et al.
Publicado: (2021)
Relativistic VQE calculations of molecular electric dipole moments on trapped ion quantum hardware
por: Chawla, Palak, et al.
Publicado: (2024)
por: Chawla, Palak, et al.
Publicado: (2024)
Geometry-enhanced Pre-training on Interatomic Potentials
por: Cui, Taoyong, et al.
Publicado: (2023)
por: Cui, Taoyong, et al.
Publicado: (2023)
Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
por: Nagy, Dániel, et al.
Publicado: (2024)
por: Nagy, Dániel, et al.
Publicado: (2024)
Chemically Motivated Simulation Problems are Efficiently Solvable by a Quantum Computer
por: Schleich, Philipp, et al.
Publicado: (2024)
por: Schleich, Philipp, et al.
Publicado: (2024)
A Simple Iterative Approach for Constant Chemical Potential Simulations at Interfaces
por: Soyemi, Ademola, et al.
Publicado: (2025)
por: Soyemi, Ademola, et al.
Publicado: (2025)
Transferability of datasets between Machine-Learning Interaction Potentials
por: Niblett, Samuel P., et al.
Publicado: (2024)
por: Niblett, Samuel P., et al.
Publicado: (2024)
Exponential speed-up in VQE molecular energy ranking with Sridhara-compressed Hamiltonians
por: Lima, Dennis, et al.
Publicado: (2025)
por: Lima, Dennis, et al.
Publicado: (2025)
Large-scale Efficient Molecule Geometry Optimization with Hybrid Quantum-Classical Computing
por: Hao, Yajie, et al.
Publicado: (2025)
por: Hao, Yajie, et al.
Publicado: (2025)
The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation
por: Graves, Vincent, et al.
Publicado: (2023)
por: Graves, Vincent, et al.
Publicado: (2023)
Simulating Exciton Transport with Complex Absorbing Potentials
por: Bazile, Dimitri, et al.
Publicado: (2026)
por: Bazile, Dimitri, et al.
Publicado: (2026)
Cholesky Decomposition and the Second-Derivative Two-Electron Integrals Required for the Computation of Magnetizabilities using Gauge-Including Atomic Orbitals
por: Burger, Sophia, et al.
Publicado: (2024)
por: Burger, Sophia, et al.
Publicado: (2024)
Transfer Learning Meets Embedded Correlated Wavefunction Theory for Chemically Accurate Molecular Simulations: Application to Calcium Carbonate Ion-Pairing
por: Bian, Xuezhi, et al.
Publicado: (2026)
por: Bian, Xuezhi, et al.
Publicado: (2026)
Lifelong Machine Learning Potentials for Chemical Reaction Network Explorations
por: Eckhoff, Marco, et al.
Publicado: (2025)
por: Eckhoff, Marco, et al.
Publicado: (2025)
Ejemplares similares
-
Beyond MP2 initialization for unitary coupled cluster quantum circuits
por: Hirsbrunner, Mark R., et al.
Publicado: (2023) -
Reducing the Resources Required by ADAPT-VQE Using Coupled Exchange Operators and Improved Subroutines
por: Ramôa, Mafalda, et al.
Publicado: (2024) -
TETRIS-ADAPT-VQE: An adaptive algorithm that yields shallower, denser circuit ansätze
por: Anastasiou, Panagiotis G., et al.
Publicado: (2022) -
Surrogate Constructed Scalable Circuits ADAPT-VQE in the Schwinger model
por: Gustafson, Erik, et al.
Publicado: (2024) -
$Δ$ADAPT-VQE: Toward Accurate Calculation of Excitation Energies on Quantum Computers for BODIPY Molecules With Application in Photodynamic Therapy
por: Nykänen, Anton, et al.
Publicado: (2024)