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Nonadiabatic molecular dynamics on quantum computers: challenges and opportunities
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Noise-Aware Variational Eigensolvers: A Dissipative Route for Lattice Gauge Theories
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A Hybrid Quantum Computing Method for UV–Vis Spectroscopy of Solvated Molecules at Room Temperature
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Determination of Molecular Symmetry Adapted Eigenroots in the Variational Quantum Eigensolver Framework
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A hybrid quantum computing pipeline for real world drug discovery
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Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method
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Quantum Computing in Intelligent Transportation Systems: A Survey
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Analysis of Fourth-, Fifth-, and Infinite-Order Triple Excitations in Unitary Coupled Cluster Theory
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Quantum Computed Green's Functions using a Cumulant Expansion of the Lanczos Method
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Unitary vibrational coupled cluster: General theory and implementation
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Classification of dynamical Lie algebras of 2-local spin systems on linear, circular and fully connected topologies
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Nonunitary Coupled Cluster Enabled by Midcircuit Measurements on Quantum Computers
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Corrections beyond coupled cluster singles and doubles through selected generalized rank-two operators: digital quantum simulation of strongly correlated systems
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A NISQ Method to Simulate Hermitian Matrix Evolution
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Accurate quantum-centric simulations of intermolecular interactions
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Extension of the Trotterized Unitary Coupled Cluster to Triple Excitations
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Machine Learning Accelerates Precise Excited-State Potential Energy Surface Calculations on a Quantum Computer
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Improving the implementation of quantum blockchain based on hypergraphs
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An Improved CBBA Generation Method Based on Triangular Fuzzy Numbers
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Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States
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Walking through Hilbert Space with Quantum Computers
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Molecular Quantum Circuit Design: A Graph-Based Approach
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Fermionic adaptive sampling theory for variational quantum eigensolvers
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Neutron-proton pairing correlations described on quantum computers
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Efficient excited-state calculations for molecules based on contextual subspace method and symmetry optimizations
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Comparison of variational quantum eigensolvers in light nuclei
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Exploring Hückel Molecular Orbital Energies through Variational and Phase Estimation Quantum Algorithms
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Quantum algorithms for generator coordinate methods
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Shadow ansatz for the many-fermion wave function in scalable molecular simulations on quantum computing devices
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Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
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Toward superpolynomial quantum speedup of equivariant quantum algorithms with SU(d) symmetry
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Quantum Seniority-Based Subspace Expansion: Linear Combinations of Short-Circuit Unitary Transformations for the Electronic Structure Problem
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Quantum eigenvector continuation for chemistry applications
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Optimized Quantum Phase Estimation for Simulating Electronic States in Various Energy Regimes
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Analytical Formulation of the Second-Order Derivative of Energy for the Orbital-Optimized Variational Quantum Eigensolver: Application to Polarizability
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Physics-Constrained Hardware-Efficient Ansatz on Quantum Computers That Is Universal, Systematically Improvable, and Size-Consistent
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Stabilizer configuration interaction: Finding molecular subspaces with error detection properties
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A reduced cost four-component relativistic unitary coupled cluster method for atoms and molecules
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State Preparation of Antisymmetrized Geminal Power on a Quantum Computer without Number Projection
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Quantum Support Vector Machine for Classifying Noisy Data
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An Introduction to Variational Quantum Eigensolver Applied to Chemistry
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Quantum Measurement for Quantum Chemistry on a Quantum Computer
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TenCirChem: An Efficient Quantum Computational Chemistry Package for the NISQ Era
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Quantum Circuit Compiler for a Shuttling-Based Trapped-Ion Quantum Computer
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Generative flow-based warm start of the variational quantum eigensolver
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Variational quantum imaginary time evolution for matrix product state Ansatz with tests on transcorrelated Hamiltonians
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Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis
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A Hybrid Quantum-Classical Algorithm for Multichannel Quantum Scattering of Atoms and Molecules
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Beyond MP2 initialization for unitary coupled cluster quantum circuits
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Quantum Algorithmic Approach to Multiconfigurational Valence Bond Theory: Insights from Interpretable Circuit Design
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Accurate and gate-efficient quantum Ansätze for electronic states without adaptive optimization
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Probing Quantum Efficiency: Exploring System Hardness in Electronic Ground State Energy Estimation
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Mapping renormalized coupled cluster methods to quantum computers through a compact unitary representation of nonunitary operators
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The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation
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Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing
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Emulating two qubits with a four-level transmon qudit for variational quantum algorithms
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Vibrational ADAPT-VQE: Critical points lead to problematic convergence
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Multistate Iterative Qubit Coupled Cluster (MS-iQCC): A Quantum-Inspired, State-Averaged Approach to Ground- And Excited-State Energies
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Modelling carbon capture on metal-organic frameworks with quantum computing
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