Local, expressive, quantum-number-preserving VQE ansätze for fermionic systems
We propose VQE circuit fabrics with advantageous properties for the simulation of strongly
correlated ground and excited states of molecules and materials under the Jordan–Wigner …
correlated ground and excited states of molecules and materials under the Jordan–Wigner …
Physics-constrained hardware-efficient ansatz on quantum computers that is universal, systematically improvable, and size-consistent
X **ao, H Zhao, J Ren, WH Fang… - Journal of Chemical Theory …, 2024 - ACS Publications
Variational wave function ansätze are at the heart of solving quantum many-body
problems in physics and chemistry. Previous designs of hardware-efficient ansatz (HEA) on …
problems in physics and chemistry. Previous designs of hardware-efficient ansatz (HEA) on …
Resource-efficient chemistry on quantum computers with the variational quantum eigensolver and the double unitary coupled-cluster approach
Applications of quantum simulation algorithms to obtain electronic energies of molecules on
noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources …
noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources …
Sparse quantum state preparation for strongly correlated systems
Quantum computing allows, in principle, the encoding of the exponentially scaling many-
electron wave function onto a linearly scaling qubit register, offering a promising solution to …
electron wave function onto a linearly scaling qubit register, offering a promising solution to …
Unitary transformation of the electronic hamiltonian with an exact quadratic truncation of the baker-campbell-hausdorff expansion
The application of current and near-term quantum hardware to the electronic structure
problem is highly limited by qubit counts, coherence times, and gate fidelities. To address …
problem is highly limited by qubit counts, coherence times, and gate fidelities. To address …
Two Algorithms for Excited-State Quantum Solvers: Theory and Application to EOM-UCCSD
Near-term quantum devices promise to revolutionize quantum chemistry, but simulations
using the current noisy intermediate-scale quantum (NISQ) devices are not practical due to …
using the current noisy intermediate-scale quantum (NISQ) devices are not practical due to …
A semi-agnostic ansatz with variable structure for variational quantum algorithms
Quantum machine learning—and specifically Variational Quantum Algorithms (VQAs)—
offers a powerful, flexible paradigm for programming near-term quantum computers, with …
offers a powerful, flexible paradigm for programming near-term quantum computers, with …
Physics-Inspired Quantum Simulation of Resonating Valence Bond States─ A Prototypical Template for a Spin-Liquid Ground State
Spin liquids─ an emergent, exotic collective phase of matter─ have garnered enormous
attention in recent years. While experimentally many prospective candidates have been …
attention in recent years. While experimentally many prospective candidates have been …
Universal compilation for quantum state tomography
Universal compilation is a training process that compiles a trainable unitary into a target
unitary. It has vast potential applications from depth-circuit compressing to device …
unitary. It has vast potential applications from depth-circuit compressing to device …
Toward Chemical Accuracy with Shallow Quantum Circuits: A Clifford-Based Hamiltonian Engineering Approach
Achieving chemical accuracy with shallow quantum circuits is a significant challenge in
quantum computational chemistry, particularly for near-term quantum devices. In this work …
quantum computational chemistry, particularly for near-term quantum devices. In this work …