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
Physical Review A
arXiv
July 2022
Chemistry Simulation
Efficient Quantum Analytic Nuclear Gradients with Double Factorization
Journal of Chemical Physics
arXiv
January 2023
Chemistry Simulation
Drug design on quantum computers
Nature Physics
arXiv
March 2023
Chemistry Simulation
Fault-tolerant quantum computation of molecular observables
Quantum
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
PRX Quantum
arXiv
March 2024
Chemistry Simulation
Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer
ACS Central Science
arXiv
April 2021
Chemistry Simulation
Low Rank Density Matrix Evolution for Noisy Quantum Circuits
Nature
arXiv
May 2023
Chemistry Simulation
Accelerating Quantum Computations of Chemistry Through Regularized Compressed Double Factorization
arXiv
March 2024
Chemistry Simulation
Reducing the runtime of fault-tolerant quantum simulations in chemistry through symmetry-compressed double factorization
Journal of Chemical Theory and Computation
arXiv
March 2024
Chemistry Simulation
Symmetry-aware spectral bounds for the electronic structure Hamiltonian
arXiv
May 2024
Chemistry Simulation
Enhancing initial state overlap through orbital optimization for faster molecular electronic ground-state energy estimation
arXiv
January 2025
Chemistry Simulation
Molecular Properties from Quantum Krylov Subspace Diagonalization
J. Chem. Theory Comput.
arXiv
September 2025
Chemistry Simulation
Improving the Runtime of Quantum Phase Estimation for Chemistry Through Basis Set Optimization
J. Chem. Theory Comput.
arXiv
March 2026
Chemistry Simulation
Quantum simulation of carbon capture in periodic metal-organic frameworks
Digital Discovery (RSC)
arXiv
March 2026
Chemistry Simulation
Optimizing and Comparing Quantum Resources of Statistical Phase Estimation and Krylov Subspace Diagonalization
arXiv
Latest Tweets
Copyright © QC Ware 2026
yvori.chPrivacy Policy