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Quantum Algorithms for Quantum Molecular Systems: A Survey
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The Complete Active Space Self‐Consistent Field Method and its Applications in Electronic Structure Calculations
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State‐specific multireference coupled‐cluster theory
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Subsystem density‐functional theory
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Ab initio computations of molecular systems by the auxiliary‐field quantum Monte Carlo method
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Quantum Communication, Computing, and Measurement
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Quantum Error Correction with Imperfect Gates
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Über das Paulische Äquivalenzverbot
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Generalized Trotter's formula and systematic approximants of exponential operators and inner derivations with applications to many-body problems
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Quantum Arthur–Merlin games
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Efficient Quantum Algorithms for Simulating Sparse Hamiltonians
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Rigorous RG Algorithms and Area Laws for Low Energy Eigenstates in 1D
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Average-Case Speedup for Product Formulas
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Complementary Polynomials in Quantum Signal Processing
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Commuting Local Hamiltonian Problem on 2D Beyond Qubits
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Duality Quantum Computing and Duality Quantum Information Processing
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A complete active space SCF method (CASSCF) using a density matrix formulated super-CI approach
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The density-matrix renormalization group in the age of matrix product states
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Two-dimensional local Hamiltonian problem with area laws is QMA-complete
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Parameter estimation for nonincreasing exponential sums by Prony-like methods
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The Variational Quantum Eigensolver: A review of methods and best practices
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Quantum computational advantage via 60-qubit 24-cycle random circuit sampling
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Quantum Chemistry in the Age of Quantum Computing
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Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
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Distributed Multi-GPU Ab Initio Density Matrix Renormalization Group Algorithm with Applications to the P-Cluster of Nitrogenase
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A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry
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Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling
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Bootstrap Embedding for Molecules
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Unitary Partitioning Approach to the Measurement Problem in the Variational Quantum Eigensolver Method
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Iterative Configuration Interaction with Selection
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Circuit-Depth Reduction of Unitary-Coupled-Cluster Ansatz by Energy Sorting
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Embedded Correlated Wavefunction Schemes: Theory and Applications
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Multireference Nature of Chemistry: The Coupled-Cluster View
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Quantum Monte Carlo and Related Approaches
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Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets
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A variational eigenvalue solver on a photonic quantum processor
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Quantum computation and quantum-state engineering driven by dissipation
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Entanglement area law in superfluid 4He
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Barren plateaus in quantum neural network training landscapes
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An adaptive variational algorithm for exact molecular simulations on a quantum computer
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Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry
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Towards near-term quantum simulation of materials
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Probing spectral features of quantum many-body systems with quantum simulators
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Shadow hamiltonian simulation
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Ab initio quantum simulation of strongly correlated materials with quantum embedding
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Improved techniques for preparing eigenstates of fermionic Hamiltonians
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Simulating quantum many-body dynamics on a current digital quantum computer
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Hamiltonian simulation in the low-energy subspace
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Fundamental limits of quantum error mitigation
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Towards practical and massively parallel quantum computing emulation for quantum chemistry
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Circuit complexity of quantum access models for encoding classical data
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Hunting for quantum-classical crossover in condensed matter problems
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Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations
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Hamiltonian dynamics on digital quantum computers without discretization error
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Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations
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Neural-network quantum state tomography
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Classical algorithms for quantum mean values
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Predicting many properties of a quantum system from very few measurements
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Time-Efficient Constant-Space-Overhead Fault-Tolerant Quantum Computation
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Constant-overhead fault-tolerant quantum computation with reconfigurable atom arrays
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Experimental quantum computational chemistry with optimized unitary coupled cluster ansatz
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Exponentially tighter bounds on limitations of quantum error mitigation
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Quantum supremacy using a programmable superconducting processor
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Unbiasing fermionic quantum Monte Carlo with a quantum computer
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Quantum computational advantage with a programmable photonic processor
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Suppressing quantum errors by scaling a surface code logical qubit
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Evidence for the utility of quantum computing before fault tolerance
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Logical quantum processor based on reconfigurable atom arrays
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High-threshold and low-overhead fault-tolerant quantum memory
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Quantum error correction below the surface code threshold
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Variational Monte Carlo with large patched transformers
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Observable-driven speed-ups in quantum simulations
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Tensor networks for complex quantum systems
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Variational quantum algorithms
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Dequantizing algorithms to understand quantum advantage in machine learning
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Quantum embedding theories to simulate condensed systems on quantum computers
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From transistor to trapped-ion computers for quantum chemistry
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Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers
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Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
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Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
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Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
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Spin-adapted density matrix renormalization group algorithms for quantum chemistry
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A second order multiconfiguration SCF procedure with optimum convergence
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An efficient internally contracted multiconfiguration–reference configuration interaction method
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Approximating full configuration interaction with selected configuration interaction and perturbation theory
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Second-order perturbation theory with a complete active space self-consistent field reference function
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Bootstrap embedding: An internally consistent fragment-based method
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The density matrix renormalization group in chemistry and molecular physics: Recent developments and new challenges
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Measurement optimization in the variational quantum eigensolver using a minimum clique cover
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Elucidating reaction mechanisms on quantum computers
inferredcites →https://doi.org/10.1073/pnas.1801723115openalex-snapshot
Toward the first quantum simulation with quantum speedup
inferredcites →https://doi.org/10.1073/pnas.2122059119openalex-snapshot
Fermionic wave functions from neural-network constrained hidden states
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Reliably assessing the electronic structure of cytochrome P450 on today’s classical computers and tomorrow’s quantum computers
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General Quantum Interference Principle and Duality Computer
inferredcites →https://doi.org/10.1088/1367-2630/18/2/023023openalex-snapshot
The theory of variational hybrid quantum-classical algorithms
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Finite temperature quantum embedding theories for correlated systems
inferredcites →https://doi.org/10.1088/1367-2630/aafb8eopenalex-snapshot
Quantum phase estimation of multiple eigenvalues for small-scale (noisy) experiments
inferredcites →https://doi.org/10.1088/1367-2630/ab5c60openalex-snapshot
Quantum eigenvalue estimation via time series analysis
inferredcites →https://doi.org/10.1088/1367-2630/ab867bopenalex-snapshot
A non-orthogonal variational quantum eigensolver
inferredcites →https://doi.org/10.1088/1742-5468/2007/08/p08024openalex-snapshot
An area law for one-dimensional quantum systems
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Simulating quantum dynamics on a quantum computer
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Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz
inferredcites →https://doi.org/10.1088/2058-9565/ac3110openalex-snapshot
Early fault-tolerant simulations of the Hubbard model
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Towards a variational Jordan–Lee–Preskill quantum algorithm
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Quantum amplitude amplification and estimation
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On the Product of Semi-Groups of Operators
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Compilation of Trotter-Based Time Evolution for Partially Fault-Tolerant Quantum Computing Architecture
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Quantum computing quantum Monte Carlo algorithm
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Optimal Coherent Quantum Phase Estimation Via Tapering
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Note on an Approximation Treatment for Many-Electron Systems
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Measurement reduction in variational quantum algorithms
inferredcites →https://doi.org/10.1103/physreva.102.010601openalex-snapshot
High-fidelity Trotter formulas for digital quantum simulation
inferredcites →https://doi.org/10.1103/physreva.103.042419openalex-snapshot
Efficient phase-factor evaluation in quantum signal processing
inferredcites →https://doi.org/10.1103/physreva.104.012405openalex-snapshot
One qubit as a universal approximant
inferredcites →https://doi.org/10.1103/physreva.105.062452openalex-snapshot
Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry
inferredcites →https://doi.org/10.1103/physreva.106.012612openalex-snapshot
Resource estimations for the Hamiltonian simulation in correlated electron materials
inferredcites →https://doi.org/10.1103/physreva.108.062408openalex-snapshot
Adaptive low-depth quantum algorithms for robust multiple-phase estimation
inferredcites →https://doi.org/10.1103/physreva.108.062413openalex-snapshot
Quantum phase processing and its applications in estimating phase and entropies
inferredcites →https://doi.org/10.1103/physreva.111.012426openalex-snapshot
Efficient ground-state-energy estimation and certification on early fault-tolerant quantum computers
inferredcites →https://doi.org/10.1103/physreva.75.032321openalex-snapshot
Simulating adiabatic evolution of gapped spin systems
inferredcites →https://doi.org/10.1103/physreva.90.022305openalex-snapshot
Gate-count estimates for performing quantum chemistry on small quantum computers
inferredcites →https://doi.org/10.1103/physreva.92.062315openalex-snapshot
Robust calibration of a universal single-qubit gate set via robust phase estimation
inferredcites →https://doi.org/10.1103/physreva.95.020501openalex-snapshot
Quantum implementation of the unitary coupled cluster for simulating molecular electronic structure
inferredcites →https://doi.org/10.1103/physreva.95.032332openalex-snapshot
Operator locality in the quantum simulation of fermionic models
inferredcites →https://doi.org/10.1103/physreva.99.042314openalex-snapshot
Simulating the dynamics of time-dependent Hamiltonians with a truncated Dyson series
inferredcites →https://doi.org/10.1103/physrevb.102.235122openalex-snapshot
Strategies for solving the Fermi-Hubbard model on near-term quantum computers
inferredcites →https://doi.org/10.1103/physrevb.72.045141openalex-snapshot
Quasiadiabatic continuation of quantum states: The stability of topological ground-state degeneracy and emergent gauge invariance
inferredcites →https://doi.org/10.1103/physrevb.96.205152openalex-snapshot
Restricted Boltzmann machine learning for solving strongly correlated quantum systems
inferredcites →https://doi.org/10.1103/physrevb.98.104426openalex-snapshot
Solving frustrated quantum many-particle models with convolutional neural networks
inferredcites →https://doi.org/10.1103/physrevlett.105.190503openalex-snapshot
Quantum State Restoration and Single-Copy Tomography for Ground States of Hamiltonians
inferredcites →https://doi.org/10.1103/physrevlett.106.170501openalex-snapshot
Quantum Simulation of Time-Dependent Hamiltonians and the Convenient Illusion of Hilbert Space
inferredcites →https://doi.org/10.1103/physrevlett.109.186404openalex-snapshot
Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory
inferredcites →https://doi.org/10.1103/physrevlett.114.090502openalex-snapshot
Simulating Hamiltonian Dynamics with a Truncated Taylor Series
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Rapid Adiabatic Preparation of Injective Projected Entangled Pair States and Gibbs States
inferredcites →https://doi.org/10.1103/physrevlett.118.010501openalex-snapshot
Optimal Hamiltonian Simulation by Quantum Signal Processing
inferredcites →https://doi.org/10.1103/physrevlett.120.240503openalex-snapshot
Latent Space Purification via Neural Density Operators
inferredcites →https://doi.org/10.1103/physrevlett.121.010501openalex-snapshot
Quantum Algorithm for Spectral Measurement with a Lower Gate Count
inferredcites →https://doi.org/10.1103/physrevlett.121.167204openalex-snapshot
Symmetries and Many-Body Excitations with Neural-Network Quantum States
inferredcites →https://doi.org/10.1103/physrevlett.122.226401openalex-snapshot
Backflow Transformations via Neural Networks for Quantum Many-Body Wave Functions
inferredcites →https://doi.org/10.1103/physrevlett.123.070503openalex-snapshot
Random Compiler for Fast Hamiltonian Simulation
inferredcites →https://doi.org/10.1103/physrevlett.125.010501openalex-snapshot
Variational Quantum Simulation of General Processes
inferredcites →https://doi.org/10.1103/physrevlett.127.120502openalex-snapshot
Training Variational Quantum Algorithms Is NP-Hard
inferredcites →https://doi.org/10.1103/physrevlett.127.180501openalex-snapshot
Strong Quantum Computational Advantage Using a Superconducting Quantum Processor
inferredcites →https://doi.org/10.1103/physrevlett.127.200501openalex-snapshot
Experimental Quantum State Measurement with Classical Shadows
inferredcites →https://doi.org/10.1103/physrevlett.128.210501openalex-snapshot
First-Order Trotter Error from a Second-Order Perspective
inferredcites →https://doi.org/10.1103/physrevlett.129.030503openalex-snapshot
Randomized Quantum Algorithm for Statistical Phase Estimation
inferredcites →https://doi.org/10.1103/physrevlett.129.120505openalex-snapshot
Perturbative Quantum Simulation
inferredcites →https://doi.org/10.1103/physrevlett.129.240501openalex-snapshot
Nearly Optimal Quantum Algorithm for Estimating Multiple Expectation Values
inferredcites →https://doi.org/10.1103/physrevlett.129.270502openalex-snapshot
Hamiltonian Simulation with Random Inputs
inferredcites →https://doi.org/10.1103/physrevlett.130.040601openalex-snapshot
Low-Depth Hamiltonian Simulation by an Adaptive Product Formula
inferredcites →https://doi.org/10.1103/physrevlett.69.2863openalex-snapshot
Density matrix formulation for quantum renormalization groups
inferredcites →https://doi.org/10.1103/physrevlett.80.4558openalex-snapshot
Green Function Monte Carlo with Stochastic Reconfiguration
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Quantum Algorithm Providing Exponential Speed Increase for Finding Eigenvalues and Eigenvectors
inferredcites →https://doi.org/10.1103/physrevlett.94.170201openalex-snapshot
Computational Complexity and Fundamental Limitations to Fermionic Quantum Monte Carlo Simulations
inferredcites →https://doi.org/10.1103/physrevlett.98.140506openalex-snapshot
Computational Complexity of Projected Entangled Pair States
inferredcites →https://doi.org/10.1103/physrevresearch.1.033033openalex-snapshot
Superfast encodings for fermionic quantum simulation
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Contracting projected entangled pair states is average-case hard
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Quantum computing enhanced computational catalysis
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Fault-tolerant resource estimate for quantum chemical simulations: Case study on Li-ion battery electrolyte molecules
inferredcites →https://doi.org/10.1103/physrevresearch.4.033154openalex-snapshot
Measurements as a roadblock to near-term practical quantum advantage in chemistry: Resource analysis
inferredcites →https://doi.org/10.1103/physrevresearch.6.033147openalex-snapshot
Single-ancilla ground state preparation via Lindbladians
inferredcites →https://doi.org/10.1103/physrevresearch.6.033285openalex-snapshot
Measuring Trotter error and its application to precision-guaranteed Hamiltonian simulations
inferredcites →https://doi.org/10.1103/physrevresearch.6.033309openalex-snapshot
Trotter error bounds and dynamic multi-product formulas for Hamiltonian simulation
inferredcites →https://doi.org/10.1103/physrevresearch.6.043155openalex-snapshot
Strong error bounds for Trotter and strang-splittings and their implications for quantum chemistry
inferredcites →https://doi.org/10.1103/physrevx.10.041026openalex-snapshot
Gaussian Process States: A Data-Driven Representation of Quantum Many-Body Physics
inferredcites →https://doi.org/10.1103/physrevx.11.011020openalex-snapshot
Theory of Trotter Error with Commutator Scaling
inferredcites →https://doi.org/10.1103/physrevx.12.011046openalex-snapshot
Systematic Improvability in Quantum Embedding for Real Materials
inferredcites →https://doi.org/10.1103/physrevx.15.021057openalex-snapshot
Practical Quantum Advantage on Partially Fault-Tolerant Quantum Computer
inferredcites →https://doi.org/10.1103/physrevx.5.021027openalex-snapshot
Digital Quantum Simulation of Spin Models with Circuit Quantum Electrodynamics
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Solutions of the Two-Dimensional Hubbard Model: Benchmarks and Results from a Wide Range of Numerical Algorithms
inferredcites →https://doi.org/10.1103/physrevx.6.031007openalex-snapshot
Scalable Quantum Simulation of Molecular Energies
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Methodology of Resonant Equiangular Composite Quantum Gates
inferredcites →https://doi.org/10.1103/physrevx.8.011044openalex-snapshot
Low-Depth Quantum Simulation of Materials
inferredcites →https://doi.org/10.1103/physrevx.8.041015openalex-snapshot
Encoding Electronic Spectra in Quantum Circuits with Linear T Complexity
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Even More Efficient Quantum Computations of Chemistry Through Tensor Hypercontraction
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Adaptive Variational Quantum Dynamics Simulations
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Quantum Algorithm for Time-Dependent Hamiltonian Simulation by Permutation Expansion
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Grand Unification of Quantum Algorithms
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Concentration for Random Product Formulas
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Accelerated Quantum Monte Carlo with Mitigated Error on Noisy Quantum Computer
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Heisenberg-Limited Ground-State Energy Estimation for Early Fault-Tolerant Quantum Computers
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Intractability of Electronic Structure in a Fixed Basis
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Ground-State Preparation and Energy Estimation on Early Fault-Tolerant Quantum Computers via Quantum Eigenvalue Transformation of Unitary Matrices
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Classical Simulation of Short-Time Quantum Dynamics
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Algorithmic Cluster Expansions for Quantum Problems
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Analyzing Prospects for Quantum Advantage in Topological Data Analysis
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Partially Fault-Tolerant Quantum Computing Architecture with Error-Corrected Clifford Gates and Space-Time Efficient Analog Rotations
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Early Fault-Tolerant Quantum Computing
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Qubit-Efficient Randomized Quantum Algorithms for Linear Algebra
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Generalized Quantum Signal Processing
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Simple and High-Precision Hamiltonian Simulation by Compensating Trotter Error with Linear Combination of Unitary Operations
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Rapid Initial-State Preparation for the Quantum Simulation of Strongly Correlated Molecules
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Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
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