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Emerging quantum computing algorithms for quantum chemistry
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Efficient Simulation of Quantum Systems by Quantum Computers
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A Critical Assessment of Coupled Cluster Method in Quantum Chemistry
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Zur Quantentheorie der Molekeln
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Dynamical mean‐field theory for correlated electrons
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QM/MM Methods for Biomolecular Systems
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Parameter estimation using simultaneous perturbation stochastic approximation
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Overview of Computational Simulations in Quantum Dots
inferredcites →https://doi.org/10.1002/qua.25176openalex-snapshot
Quantum chemistry beyond Born–Oppenheimer approximation on a quantum computer: A simulated phase estimation study
inferredcites →https://doi.org/10.1002/qua.560120408openalex-snapshot
Simplifications in the generation and transformation of two‐electron integrals in molecular calculations
inferredcites →https://doi.org/10.1002/qua.560120813openalex-snapshot
On the applicability of LCAO-Xα methods to molecules containing transition metal atoms: The nickel atom and nickel hydride
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Ab initio computations of molecular systems by the auxiliary‐field quantum Monte Carlo method
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The COSMO and COSMO‐RS solvation models
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Stochastic Recursive Algorithms for Optimization
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Theory of Quantum Computation, Communication, and Cryptography
inferredcites →https://doi.org/10.1007/978-3-642-18073-6_8openalex-snapshot
Simulating Sparse Hamiltonians with Star Decompositions
inferredcites →https://doi.org/10.1007/978-3-642-27737-5_428-3openalex-snapshot
Quantum Computational Complexity
inferredcites →https://doi.org/10.1007/978-3-662-02781-3_9openalex-snapshot
Über das Paulische Äquivalenzverbot
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Adiabatic Perturbation Theory in Quantum Dynamics
inferredcites →https://doi.org/10.1007/bf01331938openalex-snapshot
�ber das Paulische �quivalenzverbot
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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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The impact of the resolution of the identity approximate integral method on modern ab initio algorithm development
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Efficient Quantum Algorithms for Simulating Sparse Hamiltonians
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On the Relationship Between Continuous- and Discrete-Time Quantum Walk
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Measurements of Quantum Hamiltonians with Locally-Biased Classical Shadows
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Adiabatic Theorem without a Gap Condition
inferredcites →https://doi.org/10.1007/s00453-008-9168-0openalex-snapshot
A Polynomial Quantum Algorithm for Approximating the Jones Polynomial
inferredcites →https://doi.org/10.1007/s11128-012-0432-5openalex-snapshot
Quantum walks: a comprehensive review
inferredcites →https://doi.org/10.1016/0009-2614(86)80099-9openalex-snapshot
On the Beebe-Linderberg two-electron integral approximation
inferredcites →https://doi.org/10.1016/0009-2614(93)87156-wopenalex-snapshot
Use of approximate integrals in ab initio theory. An application in MP2 energy calculations
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Integral approximations for LCAO-SCF calculations
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Mathematical foundations of quantum mechanics
inferredcites →https://doi.org/10.1016/0021-9991(75)90065-0openalex-snapshot
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
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Molecular Light Scattering and Optical Activity
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Computational vibrational spectroscopy for the detection of molecules in space
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The density-matrix renormalization group in the age of matrix product states
inferredcites →https://doi.org/10.1016/s0009-2614(89)87372-5openalex-snapshot
Alternative coupled-cluster ansätze II. The unitary coupled-cluster method
inferredcites →https://doi.org/10.1016/s0009-2614(99)00791-5openalex-snapshot
A full-configuration benchmark for the N2 molecule
inferredcites →https://doi.org/10.1016/s0370-1573(99)00047-2openalex-snapshot
The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
inferredcites →https://doi.org/10.1017/9781108555586openalex-snapshot
Electronic structure basic theory and practical methods
inferredcites →https://doi.org/10.1017/cbo9780511535468openalex-snapshot
Molecular Light Scattering and Optical Activity
inferredcites →https://doi.org/10.1017/cbo9780511596834openalex-snapshot
Many-Body Methods in Chemistry and Physics
inferredcites →https://doi.org/10.1017/cbo9780511976667openalex-snapshot
Quantum Computation and Quantum Information
inferredcites →https://doi.org/10.1021/acs.accounts.0c00624openalex-snapshot
What It Takes to Compute Highly Accurate Rovibrational Line Lists for Use in Astrochemistry
inferredcites →https://doi.org/10.1021/acs.chemrev.5b00648openalex-snapshot
Modeling Polymorphic Molecular Crystals with Electronic Structure Theory
inferredcites →https://doi.org/10.1021/acs.chemrev.8b00803openalex-snapshot
Quantum Chemistry in the Age of Quantum Computing
inferredcites →https://doi.org/10.1021/acs.chemrev.9b00829openalex-snapshot
Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
inferredcites →https://doi.org/10.1021/acs.inorgchem.9b00974openalex-snapshot
Ligand Field Theory and Angular Overlap Model Based Analysis of the Electronic Structure of Homovalent Iron–Sulfur Dimers
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Reducing Qubit Requirements for Quantum Simulations Using Molecular Point Group Symmetries
inferredcites →https://doi.org/10.1021/acs.jctc.0c00421openalex-snapshot
Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach
inferredcites →https://doi.org/10.1021/acs.jctc.0c00666openalex-snapshot
Efficient Step-Merged Quantum Imaginary Time Evolution Algorithm for Quantum Chemistry
inferredcites →https://doi.org/10.1021/acs.jctc.6b00316openalex-snapshot
A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry
inferredcites →https://doi.org/10.1021/acs.jctc.6b00638openalex-snapshot
Rigorous Ab Initio Quantum Embedding for Quantum Chemistry Using Green’s Function Theory: Screened Interaction, Nonlocal Self-Energy Relaxation, Orbital Basis, and Chemical Accuracy
inferredcites →https://doi.org/10.1021/acs.jctc.7b00605openalex-snapshot
Highly Efficient and Scalable Compound Decomposition of Two-Electron Integral Tensor and Its Application in Coupled Cluster Calculations
inferredcites →https://doi.org/10.1021/acs.jctc.8b00778openalex-snapshot
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) Calculations
inferredcites →https://doi.org/10.1021/acs.jctc.8b00932openalex-snapshot
Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer
inferredcites →https://doi.org/10.1021/acs.jctc.8b00943openalex-snapshot
Constrained Variational Quantum Eigensolver: Quantum Computer Search Engine in the Fock Space
inferredcites →https://doi.org/10.1021/acs.jctc.8b00996openalex-snapshot
Efficient Ab Initio Auxiliary-Field Quantum Monte Carlo Calculations in Gaussian Bases via Low-Rank Tensor Decomposition
inferredcites →https://doi.org/10.1021/acs.jctc.8b01004openalex-snapshot
Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
inferredcites →https://doi.org/10.1021/acs.jctc.9b00083openalex-snapshot
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules
inferredcites →https://doi.org/10.1021/acs.jctc.9b00402openalex-snapshot
Calculation of Molecular Vibrational Spectra on a Quantum Annealer
inferredcites →https://doi.org/10.1021/acs.jctc.9b00791openalex-snapshot
Unitary Partitioning Approach to the Measurement Problem in the Variational Quantum Eigensolver Method
inferredcites →https://doi.org/10.1021/acs.jctc.9b00963openalex-snapshot
Jastrow-type Decomposition in Quantum Chemistry for Low-Depth Quantum Circuits
inferredcites →https://doi.org/10.1021/acs.jctc.9b01125openalex-snapshot
A Multireference Quantum Krylov Algorithm for Strongly Correlated Electrons
inferredcites →https://doi.org/10.1021/acs.jmedchem.7b00487openalex-snapshot
In Silico Absorption, Distribution, Metabolism, Excretion, and Pharmacokinetics (ADME-PK): Utility and Best Practices. An Industry Perspective from the International Consortium for Innovation through Quality in Pharmaceutical Development
inferredcites →https://doi.org/10.1021/acs.jpca.0c09530openalex-snapshot
Computational Investigations of the Lithium Superoxide Dimer Rearrangement on Noisy Quantum Devices
inferredcites →https://doi.org/10.1021/acs.jpclett.9b01117openalex-snapshot
Quantum Algorithm for Calculating Molecular Vibronic Spectra
inferredcites →https://doi.org/10.1021/ar5003285openalex-snapshot
Quantum Chemistry Meets Spectroscopy for Astrochemistry: Increasing Complexity toward Prebiotic Molecules
inferredcites →https://doi.org/10.1021/ar990019aopenalex-snapshot
The Crystal Structure of Catechol Oxidase: New Insight into the Function of Type-3 Copper Proteins
inferredcites →https://doi.org/10.1021/cr00027a010openalex-snapshot
Copper-Dioxygen Complexes. Inorganic and Bioinorganic Perspectives
inferredcites →https://doi.org/10.1021/cr2002239openalex-snapshot
Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
inferredcites →https://doi.org/10.1021/cr60053a006openalex-snapshot
Reaction Rates and Indicator Acidities.
inferredcites →https://doi.org/10.1021/cr950046oopenalex-snapshot
Multicopper Oxidases and Oxygenases
inferredcites →https://doi.org/10.1021/cr960017topenalex-snapshot
Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants
inferredcites →https://doi.org/10.1021/cr960149mopenalex-snapshot
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
inferredcites →https://doi.org/10.1021/ct300689eopenalex-snapshot
Exploring Copper Oxide Cores Using the Projected Hartree–Fock Method
inferredcites →https://doi.org/10.1021/ct301044eopenalex-snapshot
Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory
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Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra.
inferredcites →https://doi.org/10.1021/jp806365ropenalex-snapshot
Spectroscopy of Photoreactive Systems: Implications for Atmospheric Chemistry
inferredcites →https://doi.org/10.1038/nature03833openalex-snapshot
Direct observation of electron dynamics in the attosecond domain
inferredcites →https://doi.org/10.1038/nature11770openalex-snapshot
Towards an exact description of electronic wavefunctions in real solids
inferredcites →https://doi.org/10.1038/nature23879openalex-snapshot
Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets
inferredcites →https://doi.org/10.1038/nchem.1677openalex-snapshot
Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II
inferredcites →https://doi.org/10.1038/nchem.2041openalex-snapshot
Low-energy spectrum of iron–sulfur clusters directly from many-particle quantum mechanics
inferredcites →https://doi.org/10.1038/nchem.483openalex-snapshot
Towards quantum chemistry on a quantum computer
inferredcites →https://doi.org/10.1038/ncomms5213openalex-snapshot
A variational eigenvalue solver on a photonic quantum processor
inferredcites →https://doi.org/10.1038/nphys1370openalex-snapshot
Computational complexity of interacting electrons and fundamental limitations of density functional theory
inferredcites →https://doi.org/10.1038/s41467-018-07090-4openalex-snapshot
Barren plateaus in quantum neural network training landscapes
inferredcites →https://doi.org/10.1038/s41467-019-10988-2openalex-snapshot
An adaptive variational algorithm for exact molecular simulations on a quantum computer
inferredcites →https://doi.org/10.1038/s41524-020-0309-6openalex-snapshot
Accelerated design and characterization of non-uniform cellular materials via a machine-learning based framework
inferredcites →https://doi.org/10.1038/s41524-021-00540-6openalex-snapshot
Applications of quantum computing for investigations of electronic transitions in phenylsulfonyl-carbazole TADF emitters
inferredcites →https://doi.org/10.1038/s41534-018-0071-5openalex-snapshot
Improved techniques for preparing eigenstates of fermionic Hamiltonians
inferredcites →https://doi.org/10.1038/s41534-019-0187-2openalex-snapshot
Variational ansatz-based quantum simulation of imaginary time evolution
inferredcites →https://doi.org/10.1038/s41534-019-0209-0openalex-snapshot
Quantum chemistry as a benchmark for near-term quantum computers
inferredcites →https://doi.org/10.1038/s41534-019-0235-yopenalex-snapshot
IBM Q Experience as a versatile experimental testbed for simulating open quantum systems
inferredcites →https://doi.org/10.1038/s41534-019-0240-1openalex-snapshot
Efficient symmetry-preserving state preparation circuits for the variational quantum eigensolver algorithm
inferredcites →https://doi.org/10.1038/s41534-020-00290-1openalex-snapshot
Practical quantum computation of chemical and nuclear energy levels using quantum imaginary time evolution and Lanczos algorithms
inferredcites →https://doi.org/10.1038/s41534-020-00341-7openalex-snapshot
Efficient and noise resilient measurements for quantum chemistry on near-term quantum computers
inferredcites →https://doi.org/10.1038/s41534-020-0278-0openalex-snapshot
Resource-efficient digital quantum simulation of d-level systems for photonic, vibrational, and spin-s Hamiltonians
inferredcites →https://doi.org/10.1038/s41534-021-00416-zopenalex-snapshot
Low rank representations for quantum simulation of electronic structure
inferredcites →https://doi.org/10.1038/s41557-019-0337-3openalex-snapshot
Electronic landscape of the P-cluster of nitrogenase as revealed through many-electron quantum wavefunction simulations
inferredcites →https://doi.org/10.1038/s41567-019-0437-4openalex-snapshot
Quantum hardware simulating four-dimensional inelastic neutron scattering
inferredcites →https://doi.org/10.1038/s41567-019-0704-4openalex-snapshot
Determining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution
inferredcites →https://doi.org/10.1038/s41578-021-00292-1openalex-snapshot
Materials challenges for trapped-ion quantum computers
inferredcites →https://doi.org/10.1038/s41586-019-1040-7openalex-snapshot
Error mitigation extends the computational reach of a noisy quantum processor
inferredcites →https://doi.org/10.1038/s42005-021-00751-9openalex-snapshot
Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition
inferredcites →https://doi.org/10.1038/srep06603openalex-snapshot
Adiabatic Quantum Simulation of Quantum Chemistry
inferredcites →https://doi.org/10.1039/b204199popenalex-snapshot
A fully direct RI-HF algorithm: Implementation, optimised auxiliary basis sets, demonstration of accuracy and efficiency
inferredcites →https://doi.org/10.1039/b612190jopenalex-snapshot
A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital
inferredcites →https://doi.org/10.1039/c6cc00721jopenalex-snapshot
Can computed crystal energy landscapes help understand pharmaceutical solids?
inferredcites →https://doi.org/10.1039/c9sc01313jopenalex-snapshot
Digital quantum simulation of molecular vibrations
inferredcites →https://doi.org/10.1039/d0cp04106hopenalex-snapshot
Quantum simulation of electronic structure with a transcorrelated Hamiltonian: improved accuracy with a smaller footprint on the quantum computer
inferredcites →https://doi.org/10.1039/d0sc06627copenalex-snapshot
A feasible approach for automatically differentiable unitary coupled-cluster on quantum computers
inferredcites →https://doi.org/10.1051/0004-6361/201424542openalex-snapshot
New molecules in IRC +10216: confirmation of C5S and tentative identification of MgCCH, NCCP, and SiH3CN
inferredcites →https://doi.org/10.1051/0004-6361:200810193openalex-snapshot
Tentative detection of phosphine in IRC +10216
inferredcites →https://doi.org/10.1051/0004-6361:200810193/pdfopenalex-snapshot
Tentative detection of phosphine in IRC +10216
inferredcites →https://doi.org/10.1063/1.1449459openalex-snapshot
Highly correlated calculations with a polynomial cost algorithm: A study of the density matrix renormalization group
inferredcites →https://doi.org/10.1063/1.1495899openalex-snapshot
Efficient discrete approximations of quantum gates
inferredcites →https://doi.org/10.1063/1.1578621openalex-snapshot
Reduced scaling in electronic structure calculations using Cholesky decompositions
inferredcites →https://doi.org/10.1063/1.1679012openalex-snapshot
Coulombic potential energy integrals and approximations
inferredcites →https://doi.org/10.1063/1.1862243openalex-snapshot
The multiconfiguration time-dependent Hartree–Fock method for quantum chemical calculations
inferredcites →https://doi.org/10.1063/1.1999636openalex-snapshot
Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide
inferredcites →https://doi.org/10.1063/1.2406074openalex-snapshot
The ground state tunneling splitting and the zero point energy of malonaldehyde: A quantum Monte Carlo determination
inferredcites →https://doi.org/10.1063/1.2736701openalex-snapshot
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
inferredcites →https://doi.org/10.1063/1.2748377openalex-snapshot
New construction for a QMA complete three-local Hamiltonian
inferredcites →https://doi.org/10.1063/1.2749503openalex-snapshot
Molecular response properties from explicitly time-dependent configuration interaction methods
inferredcites →https://doi.org/10.1063/1.2798382openalex-snapshot
Bounds for the adiabatic approximation with applications to quantum computation
inferredcites →https://doi.org/10.1063/1.3116784openalex-snapshot
Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency
inferredcites →https://doi.org/10.1063/1.3193710openalex-snapshot
Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space
inferredcites →https://doi.org/10.1063/1.3520564openalex-snapshot
Benchmark studies of variational, unitary and extended coupled cluster methods
inferredcites →https://doi.org/10.1063/1.3575402openalex-snapshot
Decomposition of unitary matrices for finding quantum circuits: Application to molecular Hamiltonians
inferredcites →https://doi.org/10.1063/1.438728openalex-snapshot
On some approximations in applications of Xα theory
inferredcites →https://doi.org/10.1063/1.443766openalex-snapshot
Fixed-node quantum Monte Carlo for moleculesa) b)
inferredcites →https://doi.org/10.1063/1.458900openalex-snapshot
Bound state eigenfunctions from wave packets: Time→energy resolution
inferredcites →https://doi.org/10.1063/1.464746openalex-snapshot
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
inferredcites →https://doi.org/10.1063/1.465054openalex-snapshot
Molecular gradients and hessians implemented in density functional theory
inferredcites →https://doi.org/10.1063/1.467224openalex-snapshot
Circumventing the Heisenberg principle: A rigorous demonstration of filter-diagonalization on a LiCN model
inferredcites →https://doi.org/10.1063/1.468148openalex-snapshot
Coupled-cluster theory employing approximate integrals: An approach to avoid the input/output and storage bottlenecks
inferredcites →https://doi.org/10.1063/1.469398openalex-snapshot
An accurate ab initio quartic force field and vibrational frequencies for CH4 and isotopomers
inferredcites →https://doi.org/10.1063/1.4729536openalex-snapshot
Numeric kinetic energy operators for molecules in polyspherical coordinates
inferredcites →https://doi.org/10.1063/1.4732310openalex-snapshot
Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory
inferredcites →https://doi.org/10.1063/1.4768229openalex-snapshot
The Bravyi-Kitaev transformation for quantum computation of electronic structure
inferredcites →https://doi.org/10.1063/1.4768233openalex-snapshot
Tensor hypercontraction. II. Least-squares renormalization
inferredcites →https://doi.org/10.1063/1.478295openalex-snapshot
Ab initio quantum chemistry using the density matrix renormalization group
inferredcites →https://doi.org/10.1063/1.4880755openalex-snapshot
Adiabatic state preparation study of methylene
inferredcites →https://doi.org/10.1063/1.4905329openalex-snapshot
The ab-initio density matrix renormalization group in practice
inferredcites →https://doi.org/10.1063/1.4906829openalex-snapshot
An auxiliary-field quantum Monte Carlo study of the chromium dimer
inferredcites →https://doi.org/10.1063/1.4938562openalex-snapshot
Communication: Towards ab initio self-energy embedding theory in quantum chemistry
inferredcites →https://doi.org/10.1063/1.4954245openalex-snapshot
Auxiliary-field quantum Monte Carlo calculations of the molybdenum dimer
inferredcites →https://doi.org/10.1063/1.4955108openalex-snapshot
Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms
inferredcites →https://doi.org/10.1063/1.4989858openalex-snapshot
Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations
inferredcites →https://doi.org/10.1063/1.5011033openalex-snapshot
On the difference between variational and unitary coupled cluster theories
inferredcites →https://doi.org/10.1063/1.5063376openalex-snapshot
The electronic complexity of the ground-state of the FeMo cofactor of nitrogenase as relevant to quantum simulations
inferredcites →https://doi.org/10.1063/1.5088164openalex-snapshot
Trapped-ion quantum computing: Progress and challenges
inferredcites →https://doi.org/10.1063/1.5089550openalex-snapshot
A quantum engineer's guide to superconducting qubits
inferredcites →https://doi.org/10.1063/1.5125945openalex-snapshot
Time-dependent density matrix renormalization group quantum dynamics for realistic chemical systems
inferredcites →https://doi.org/10.1063/1.5133059openalex-snapshot
Exact parameterization of fermionic wave functions via unitary coupled cluster theory
inferredcites →https://doi.org/10.1063/1.5141835openalex-snapshot
Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?
inferredcites →https://doi.org/10.1063/1.529425openalex-snapshot
General theory of fractal path integrals with applications to many-body theories and statistical physics
inferredcites →https://doi.org/10.1063/5.0024727openalex-snapshot
Diabat method for polymorph free energies: Extension to molecular crystals
inferredcites →https://doi.org/10.1063/5.0029536openalex-snapshot
Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems
inferredcites →https://doi.org/10.1063/5.0044068openalex-snapshot
Quantum computation of dominant products in lithium–sulfur batteries
inferredcites →https://doi.org/10.1063/5.0047386openalex-snapshot
Revealing the nature of electron correlation in transition metal complexes with symmetry breaking and chemical intuition
inferredcites →https://doi.org/10.1063/5.0074842openalex-snapshot
Quantum-classical hybrid algorithm for the simulation of all-electron correlation
inferredcites →https://doi.org/10.1070/pu1998v041n05abeh000400openalex-snapshot
Principles of nonlinear optical spectroscopy
inferredcites →https://doi.org/10.1070/rm1997v052n06abeh002155openalex-snapshot
Quantum computations: algorithms and error correction
inferredcites →https://doi.org/10.1073/pnas.1801723115openalex-snapshot
Toward the first quantum simulation with quantum speedup
inferredcites →https://doi.org/10.1080/00018730310001642086openalex-snapshot
Algebraic approach to interacting quantum systems
inferredcites →https://doi.org/10.1080/00107151031000110776openalex-snapshot
Quantum random walks: An introductory overview
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Principles of quantum computation and information: a comprehensive textbook
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The internal coordinate path Hamiltonian; application to methanol and malonaldehyde
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OpenFermion: the electronic structure package for quantum computers
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Mathematical tools
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Early quantum algorithms
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Quantum Algorithm for a Stochastic Multicloud Model
inferred← citeshttps://doi.org/10.22331/q-2026-08-19-2193openalex-snapshot
Quantum phase estimation with optimal confidence interval using three control qubits
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-d2l1kopenalex-snapshot
Modelling Heterogeneous Catalysis using Quantum Computers: An academic and industry perspective
inferred← citeshttps://doi.org/10.31857/s0044453724010193openalex-snapshot
Теоретическое исследование адсорбции некоторых азолов на поверхности графена
inferred← citeshttps://doi.org/10.3390/condmat9040035openalex-snapshot
Towards the Construction of an Analog Solver for the Schrödinger and Ginzburg–Landau Equations Based on a Transmission Line
inferred← citeshttps://doi.org/10.3390/math13101667openalex-snapshot
N00N State Generation by Floquet Engineering
inferred← citeshttps://doi.org/10.3390/nano13182585openalex-snapshot
A Review of the Current State of Magnetic Force Microscopy to Unravel the Magnetic Properties of Nanomaterials Applied in Biological Systems and Future Directions for Quantum Technologies
inferred← citeshttps://doi.org/10.3390/sym14030624openalex-snapshot
Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers
inferred← citeshttps://doi.org/10.3390/technologies12050064openalex-snapshot
Atomic Quantum Technologies for Quantum Matter and Fundamental Physics Applications
inferred← citeshttps://doi.org/10.51847/ytvqqiwlceopenalex-snapshot
After the Quantum Advantage Claim: Which Drug-Discovery Problems Are Actually Ready for Quantum Computation?
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The impact of quantum computing on the development of algorithms and software
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Neutron-proton pairing problems simulated on quantum computers
inferred← citeshttps://doi.org/10.70675/79dfdf3dz838fz4b8dza682z43d1528ed3f9openalex-snapshot
Machine learning for quantum bandits and quantum entanglement detection
inferred← citeshttps://doi.org/10.70675/efb16840z58b5z4c76z8eadzfeae7d3faaaaopenalex-snapshot
Simulation of atomic nuclei and their constituents with quantum computers
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