Ab-initio variational wave functions for the time-dependent many-electron Schrödinger equation
Understanding the real-time evolution of many-electron quantum systems is essential for
studying dynamical properties in condensed matter, quantum chemistry, and complex …
studying dynamical properties in condensed matter, quantum chemistry, and complex …
Bridging physical intuition and hardware efficiency for correlated electronic states: the local unitary cluster Jastrow ansatz for electronic structure
A prominent goal in quantum chemistry is to solve the molecular electronic structure problem
for ground state energy with high accuracy. While classical quantum chemistry is a relatively …
for ground state energy with high accuracy. While classical quantum chemistry is a relatively …
Framework for efficient ab initio electronic structure with Gaussian Process States
We present a general framework for the efficient simulation of realistic fermionic systems
with modern machine-learning-inspired representations of quantum many-body states …
with modern machine-learning-inspired representations of quantum many-body states …
Quantum Algorithm for Imaginary-Time Green's Functions
Green's function methods lead to ab initio, systematically improvable simulations of
molecules and materials while providing access to multiple experimentally observable …
molecules and materials while providing access to multiple experimentally observable …
Embedding classical variational methods in quantum circuits
We introduce a novel quantum-classical variational method that extends the quantum
devices capabilities to approximate ground states of interacting quantum systems. The …
devices capabilities to approximate ground states of interacting quantum systems. The …
Mott transition and volume law entanglement with neural quantum states
The interplay between delocalisation and repulsive interactions can cause electronic
systems to undergo a Mott transition between a metal and an insulator. Here we use neural …
systems to undergo a Mott transition between a metal and an insulator. Here we use neural …
A Nonstochastic Optimization Algorithm for Neural-Network Quantum States
Neural-network quantum states (NQS) employ artificial neural networks to encode many-
body wave functions in a second quantization through variational Monte Carlo (VMC). They …
body wave functions in a second quantization through variational Monte Carlo (VMC). They …
Quantum-Centric Algorithm for Sample-Based Krylov Diagonalization
Approximating the ground state of many-body systems is a key computational bottleneck
underlying important applications in physics and chemistry. It has long been viewed as a …
underlying important applications in physics and chemistry. It has long been viewed as a …
Compact fermionic quantum state preparation with a natural-orbitalizing variational quantum eigensolving scheme
Assemblies of strongly interacting fermions, whether in a condensed-matter or a quantum
chemistry context, range amongst the most promising candidate systems for which quantum …
chemistry context, range amongst the most promising candidate systems for which quantum …
Optimizing Unitary Coupled Cluster Wave Functions on Quantum Hardware: Error Bound and Resource-Efficient Optimizer
M Plazanet, T Ayral - arxiv preprint arxiv:2410.15129, 2024 - arxiv.org
In this work, we study the projective quantum eigensolver (PQE) approach to optimizing
unitary coupled cluster wave functions on quantum hardware, as introduced in arxiv …
unitary coupled cluster wave functions on quantum hardware, as introduced in arxiv …