Quantum Chemistry

Google Quantum Chemistry - 27 Quantum Chemistry Papers

• 2014
  • Computational complexity of time-dependent density functional theory
• 2015
  • Quantum Simulation of Helium Hydride Cation in a Solid-State Spin Register
• 2016
  • Scalable Quantum Simulation of Molecular Energies
  • Exponentially More Precise Quantum Simulation of Fermions in Second Quantization
• 2017
  • Improved Techniques for Preparing Eigenstates of Fermionic Hamiltonians
  • OpenFermion: The Electronic Structure Package for Quantum Computers
• 2018
  • Quantum Chemistry Calculations on a Trapped-Ion Quantum Simulator
  • Application of Fermionic Marginal Constraints to Hybrid Quantum Algorithms
  • Quantum Simulation of Electronic Structure with Linear Depth and Connectivity
• 2019
  • Qubitization of Arbitrary Basis Quantum Chemistry Leveraging Sparsity and Low Rank Factorization
  • Quantum Simulation of Chemistry with Sublinear Scaling in Basis Size
  • Majorana Loop Stabilizer Codes for Error Mitigation in Fermionic Quantum Simulations
• 2020
  • Fermionic partial tomography via classical shadows
  • Nearly Optimal Measurement Scheduling for Partial Tomography of Quantum States
  • Hartree-Fock on a Superconducting Qubit Quantum Computer
  • Increasing the Representation Accuracy of Quantum Simulations of Chemistry without Extra Quantum Resources
  • Demonstrating a Continuous Set of Two-qubit Gates for Near-term Quantum Algorithms
  • Discontinuous Galerkin Discretization for Quantum Simulation of Chemistry
• 2021
  • Efficient Quantum Computation of Molecular Forces and Other Energy Gradients - [63 Pages]
  • What the foundations of quantum computer science teach us about chemistry - [13 Pages]
  • Unbiasing Fermionic Quantum Monte Carlo with a Quantum Computer - [28 Pages]
  • Fault-Tolerant Quantum Simulations of Chemistry in First Quantization - [82 Pages]
  • Efficient and Noise Resilient Measurements for Quantum Chemistry on Near-Term Quantum Computers - [9 Pages]
  • Even More Efficient Quantum Computations of Chemistry through Tensor Hyper-Contraction - [62 Pages]
  • p†q: A tool for prototyping many-body methods for quantum chemistry - [12 Pages]
  • Low Rank Representations for Quantum Simulations of Electronic Structure - [7 Pages]
• 2022
  • Exploiting fermion number in factorized decompositions of the electronic structure Hamiltonian

QunaSys Quantum Chemistry - 21 Quantum Chemistry Papers

• 2018
  • Generalization of the output of variational quantum eigensolver by parameter interpolation with low-depth ansatz - [9 Pages]
  • Subspace-search variational quantum eigensolver for excited states - [7 Pages]
• 2019
  • Theory of analytical energy derivatives for the variational quantum eigensolver - [22 Pages]
  • Sequential minimal optimization for quantum-classical hybrid algorithms - [11 Pages]
  • Subspace Variational Quantum Simulator - [10 Pages]
  • Orbital optimized unitary coupled cluster theory for quantum computer - [8 Pages]
• 2020
  • Calculating transition amplitudes by variational quantum deflation - [12 Pages]
  • Predicting excited states from ground state wavefunction by supervised quantum machine learning - [26 Pages]
  • Calculating nonadiabatic couplings and Berry's phase by variational quantum eigensolvers - [19 Pages]
  • Deep Variational Quantum Eigensolver: a divide-and-conquer method for solving a larger problem with smaller size quantum computers - [11 Pages]
  • Variational Quantum Simulation for Periodic Materials - [8 Pages]
  • Penalty methods for variational quantum eigensolver - [12 Pages]
  • Quadratic Clifford expansion for efficient benchmarking and initialization of variational quantum algorithms - [8 Pages]
  • Qulacs: a fast and versatile quantum circuit simulator for research purpose - [34 Pages]
• 2021
  • Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials - [18 Pages]
  • Molecular Structure Optimization based on Electrons-Nuclei Quantum Dynamics Computation - [20 Pages]
  • Non-normal Hamiltonian dynamics in quantum systems and its realization on quantum computers - [16 Pages]
  • Analytic energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction - [23 Pages]
  • Non-adiabatic Quantum Wavepacket Dynamics Simulation Based on Electronic Structure Calculations using the Variational Quantum Eigensolver - [17 Pages]
  • Quantum expectation value estimation by computational basis sampling - [21 Pages]
• 2022
  • Analytical formulation of the second-order derivative of energy for orbital-optimized variational quantum eigensolver: application to polarizability - [38 Pages]

Xanadu Quantum Chemistry - 10 Quantum Chemistry Papers

• 2018
  • Franck-Condon factors by counting perfect matchings of graphs with loops - [16 Pages]
• 2019
  • Molecular Docking with Gaussian Boson Sampling - [15 Pages]
• 2020
  • Quantum Algorithm for Simulating Molecular Vibrational Excitations - [11 Pages]
  • Quantum Algorithm for Simulating Single-Molecule Electron Transport - [9 Pages]
• 2021
  • Variational quantum algorithm for molecular geometry optimization - [7 Pages]
  • Universal quantum circuits for quantum Chemistry - [11 Pages]
  • Differentiable quantum computational chemistry with PennyLane - [18 Pages]
  • Quantum simulation of molecules in solution - [40 Pages]
• 2022
  • Tailgating quantum circuits for high-order energy derivatives - [10 Pages]
  • Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer - [31 Pages]