Chemistry Simulation

December 2021
Chemistry Simulation
Quantum Filter Diagonalization with Compressed Double-Factorized Hamiltonians
PRX Quantum
arXiv
November 2021
Chemistry Simulation
Local Expressive Quantum-Number-Preserving VQE Ansatze for Fermionic Systems
New Journal of Physics
arXiv
September 2019
Chemistry Simulation
Quantum Filter Diagonalization: Quantum Eigendecomposition without Full Quantum Phase Estimation
Arxiv
arXiv
June 2019
Chemistry Simulation
Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver
Physical Review Letters
arXiv
June 2019
Chemistry Simulation
Hybrid Quantum/Classical Derivative Theory: Analytical Gradients and Excited-State Dynamics for the Multistate Contracted Variational Quantum Eigensolver
Arxiv
arXiv
April 2019
Chemistry Simulation
A Jacobi Diagonalization and Anderson Acceleration Algorithm For Variational Quantum Algorithm Parameter Optimization
Arxiv
arXiv
January 2022
Chemistry Simulation
Towards the Simulation of Large Scale Protein-Ligand Interactions on NISQ-era Quantum Computers
Chemical Science
arXiv
October 2021
Chemistry Simulation
Analytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods
Arxiv
arXiv
July 2022
Chemistry Simulation
Interaction Energies on Noisy Intermediate-Scale Quantum Computers
arXiv
arXiv
November 2022
Chemistry Simulation
A stochastic quantum Krylov protocol with double factorized Hamiltonians
arXiv
arXiv
July 2022
Chemistry Simulation
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
arXiv
arXiv
January 2023
Chemistry Simulation
Drug design on quantum computers
arXiv
arXiv
March 2023
Chemistry Simulation
Fault-tolerant quantum computation of molecular observables
arXiv
March 2023
Chemistry Simulation
Simple Computation of the MultiExp Gaussian Quadrature in Double Precision
arXiv
May 2023
Chemistry Simulation
Fault-tolerant quantum algorithm for symmetry-adapted perturbation theory
arXiv
March 2024
Chemistry Simulation
Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer
ACS Publications
arXiv
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