Quantum simulation of molecular electronic states with a transcorrelated Hamiltonian: higher accuracy with fewer qubits
Simulation of electronic structure is one of the most promising applications on noisy
intermediate-scale quantum (NISQ) era devices. However, NISQ devices suffer from a …
intermediate-scale quantum (NISQ) era devices. However, NISQ devices suffer from a …
Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry
The exact evaluation of the molecular ground state in quantum chemistry requires an
exponentially increasing computational cost. Quantum computation is a promising way to …
exponentially increasing computational cost. Quantum computation is a promising way to …
Reduced density matrix sampling: Self-consistent embedding and multiscale electronic structure on current generation quantum computers
We investigate fully self-consistent multiscale quantum-classical algorithms on current
generation superconducting quantum computers, in a unified approach to tackle the …
generation superconducting quantum computers, in a unified approach to tackle the …
Quantum computational quantification of protein–ligand interactions
We have demonstrated a prototypical hybrid classical and quantum computational workflow
for the quantification of protein–ligand interactions. The workflow combines the density …
for the quantification of protein–ligand interactions. The workflow combines the density …
Open source variational quantum eigensolver extension of the quantum learning machine for quantum chemistry
Quantum chemistry (QC) is one of the most promising applications of quantum computing.
However, present quantum processing units (QPUs) are still subject to large errors …
However, present quantum processing units (QPUs) are still subject to large errors …
Variational quantum eigensolver for dynamic correlation functions
Recent practical approaches for the use of current generation noisy quantum devices in the
simulation of quantum many-body problems have been dominated by the use of a …
simulation of quantum many-body problems have been dominated by the use of a …
HamLib: A library of Hamiltonians for benchmarking quantum algorithms and hardware
In order to characterize and benchmark computational hardware, software, and algorithms, it
is essential to have many problem instances on-hand. This is no less true for quantum …
is essential to have many problem instances on-hand. This is no less true for quantum …
Hidden inverses: Coherent error cancellation at the circuit level
Coherent gate errors are a concern in many proposed quantum-computing architectures.
Here, we show that certain coherent errors can be reduced by a local optimization that …
Here, we show that certain coherent errors can be reduced by a local optimization that …
Variational quantum algorithm with information sharing
We introduce an optimisation method for variational quantum algorithms and experimentally
demonstrate a 100-fold improvement in efficiency compared to naive implementations. The …
demonstrate a 100-fold improvement in efficiency compared to naive implementations. The …
Multilevel variational spectroscopy using a programmable quantum simulator
Energy spectroscopy is a powerful tool with diverse applications across various disciplines.
Variational quantum-classical algorithms based on programmable digital quantum …
Variational quantum-classical algorithms based on programmable digital quantum …