Chemistry Simulation

Quantum Filter Diagonalization with Double-Factorized Hamiltonians
Local Expressive Quantum-Number-Preserving VQE Ansatze for Fermionic Systems
September 2019
Quantum Filter Diagonalization: Quantum Eigendecomposition without Full Quantum Phase Estimation
Quantum Computation of Electronic Transitions Using a Variational Quantum Eigensolver
Hybrid Quantum/Classical Derivative Theory: Analytical Gradients and Excited-State Dynamics for the Multistate Contracted Variational Quantum Eigensolver
A Jacobi Diagonalization and Anderson Acceleration Algorithm For Variational Quantum Algorithm Parameter Optimization
Towards the Simulation of Large Scale Protein-Ligand Interactions on NISQ-era Quantum Computers
Analytical Ground- and Excited-State Gradients for Molecular Electronic Structure Theory from Hybrid Quantum/Classical Methods