Exponential quantum speedups for near-term molecular electronic structure methods
Fuente:
arXiv
Saved in:
| Main Authors: | Leimkuhler, Oskar, Whaley, K. Birgitta |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Hunting for quantum advantage in electronic structure calculations is a highly non-trivial task
by: Legeza, Örs, et al.
Published: (2026)
by: Legeza, Örs, et al.
Published: (2026)
Interpolating many-body wave functions for accelerated molecular dynamics on the near-exact electronic surface
by: Rath, Yannic, et al.
Published: (2024)
by: Rath, Yannic, et al.
Published: (2024)
Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers
by: Marti-Dafcik, Daniel, et al.
Published: (2024)
by: Marti-Dafcik, Daniel, et al.
Published: (2024)
Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware
by: Dobrautz, Werner, et al.
Published: (2023)
by: Dobrautz, Werner, et al.
Published: (2023)
Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions
by: Atalar, Kemal, et al.
Published: (2024)
by: Atalar, Kemal, et al.
Published: (2024)
Initial state preparation for quantum chemistry on quantum computers
by: Fomichev, Stepan, et al.
Published: (2023)
by: Fomichev, Stepan, et al.
Published: (2023)
Correlation energy of the spin-polarized electron liquid by quantum Monte Carlo
by: Azadi, Sam, et al.
Published: (2023)
by: Azadi, Sam, et al.
Published: (2023)
Fast and spectrally accurate construction of adaptive diagonal basis sets for electronic structure
by: Lindsey, Michael, et al.
Published: (2024)
by: Lindsey, Michael, et al.
Published: (2024)
Surrogate optimization of variational quantum circuits
by: Gustafson, Erik J., et al.
Published: (2024)
by: Gustafson, Erik J., et al.
Published: (2024)
Polynomially efficient quantum enabled variational Monte Carlo for training neural-network quantum states for physico-chemical applications
by: Sajjan, Manas, et al.
Published: (2024)
by: Sajjan, Manas, et al.
Published: (2024)
Quantum chemistry, classical heuristics, and quantum advantage
by: Chan, Garnet Kin-Lic
Published: (2024)
by: Chan, Garnet Kin-Lic
Published: (2024)
Generalized many-body perturbation theory for the electron correlation energy: multi-reference random phase approximation via diagrammatic resummation
by: Wang, Yuqi, et al.
Published: (2024)
by: Wang, Yuqi, et al.
Published: (2024)
Representational power of selected neural network quantum states in second quantization
by: Li, Zhendong, et al.
Published: (2025)
by: Li, Zhendong, et al.
Published: (2025)
Beyond MP2 initialization for unitary coupled cluster quantum circuits
by: Hirsbrunner, Mark R., et al.
Published: (2023)
by: Hirsbrunner, Mark R., et al.
Published: (2023)
Contextual Subspace Auxiliary-Field Quantum Monte Carlo: Improved bias with reduced quantum resources
by: Kiser, Matthew, et al.
Published: (2024)
by: Kiser, Matthew, et al.
Published: (2024)
Refining the weighted subspace-search variational quantum eigensolver: compression of ansätze into a single pure state and optimization of weights
by: Hong, Cheng-Lin, et al.
Published: (2023)
by: Hong, Cheng-Lin, et al.
Published: (2023)
Tensor network influence functionals in the continuous-time limit: connections to quantum embedding, bath discretization, and higher-order time propagation
by: Park, Gunhee, et al.
Published: (2024)
by: Park, Gunhee, et al.
Published: (2024)
A DMFT approach to evaluate electronic frictional effects near solid surfaces of strongly correlated systems
by: Liu, Yunhao, et al.
Published: (2026)
by: Liu, Yunhao, et al.
Published: (2026)
Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters
by: Danilov, Don, et al.
Published: (2026)
by: Danilov, Don, et al.
Published: (2026)
Second roton feature in the strongly coupled electron liquid
by: Chuna, Thomas M., et al.
Published: (2025)
by: Chuna, Thomas M., et al.
Published: (2025)
Tensor network state methods and quantum information theory for strongly correlated molecular systems
by: Werner, Miklós Antal, et al.
Published: (2025)
by: Werner, Miklós Antal, et al.
Published: (2025)
Quantum delocalization, structural order, and density response of the strongly coupled electron liquid
by: Dornheim, Tobias, et al.
Published: (2024)
by: Dornheim, Tobias, et al.
Published: (2024)
A general framework for active space embedding methods: applications in quantum computing
by: Battaglia, Stefano, et al.
Published: (2024)
by: Battaglia, Stefano, et al.
Published: (2024)
Towards accurate spin-orbit splittings from relativistic multireference electronic structure theory
by: Zhao, Zijun, et al.
Published: (2024)
by: Zhao, Zijun, et al.
Published: (2024)
Low-rank compression of two-electron reduced density matrices
by: Atalar, Kemal, et al.
Published: (2026)
by: Atalar, Kemal, et al.
Published: (2026)
Efficient Application of Tensor Network Operators to Tensor Network States
by: Milbradt, Richard M., et al.
Published: (2026)
by: Milbradt, Richard M., et al.
Published: (2026)
Bayesian perspectives for quantum states and application to ab initio quantum chemistry
by: Rath, Yannic, et al.
Published: (2025)
by: Rath, Yannic, et al.
Published: (2025)
Out-of-time-order correlators in electronic structure using Quantum Computers
by: Joven, K. J., et al.
Published: (2024)
by: Joven, K. J., et al.
Published: (2024)
Charge transport limited by nonlocal electron-phonon interaction. II. Numerically exact quantum dynamics in the slow-phonon regime
by: Janković, Veljko
Published: (2025)
by: Janković, Veljko
Published: (2025)
Stochastic tensor contraction for quantum chemistry
by: Sun, Jiace, et al.
Published: (2026)
by: Sun, Jiace, et al.
Published: (2026)
Utility-scale quantum computational chemistry
by: Castaldo, Davide, et al.
Published: (2026)
by: Castaldo, Davide, et al.
Published: (2026)
Multireference error mitigation for quantum computation of chemistry
by: Zou, Hang, et al.
Published: (2025)
by: Zou, Hang, et al.
Published: (2025)
Auxiliary-field quantum Monte Carlo method with seniority-zero trial wave function
by: Yoshida, Yuichiro, et al.
Published: (2025)
by: Yoshida, Yuichiro, et al.
Published: (2025)
Chemically decisive benchmarks on the path to quantum utility
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)
by: Sundar, Srivathsan Poyyapakkam, et al.
Published: (2026)
Cavity-mediated localization and collective electron correlation phases
by: Sidler, Dominik, et al.
Published: (2026)
by: Sidler, Dominik, et al.
Published: (2026)
Quasi-Lindblad pseudomode theory for open quantum systems
by: Park, Gunhee, et al.
Published: (2024)
by: Park, Gunhee, et al.
Published: (2024)
Excitation Amplitude Sampling for Low Variance Electronic Structure on Quantum Computers
by: Lenihan, Connor, et al.
Published: (2025)
by: Lenihan, Connor, et al.
Published: (2025)
Graph-based block-diagonalization of full configuration interaction Hamiltonian: H$_2$ chains study
by: Park, Hayun, et al.
Published: (2025)
by: Park, Hayun, et al.
Published: (2025)
A toolbox of spin-adapted generalized Pauli constraints
by: Liebert, Julia, et al.
Published: (2025)
by: Liebert, Julia, et al.
Published: (2025)
From Random Determinants to the Ground State
by: Zhang, Hao, et al.
Published: (2025)
by: Zhang, Hao, et al.
Published: (2025)
Similar Items
-
Hunting for quantum advantage in electronic structure calculations is a highly non-trivial task
by: Legeza, Örs, et al.
Published: (2026) -
Interpolating many-body wave functions for accelerated molecular dynamics on the near-exact electronic surface
by: Rath, Yannic, et al.
Published: (2024) -
Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers
by: Marti-Dafcik, Daniel, et al.
Published: (2024) -
Ab Initio Transcorrelated Method enabling accurate Quantum Chemistry on near-term Quantum Hardware
by: Dobrautz, Werner, et al.
Published: (2023) -
Fast and accurate nonadiabatic molecular dynamics enabled through variational interpolation of correlated electron wavefunctions
by: Atalar, Kemal, et al.
Published: (2024)