Measuring electron correlation: the impact of symmetry and orbital transformations
In this perspective, the various measures of electron correlation used in wave function
theory, density functional theory and quantum information theory are briefly reviewed. We …
theory, density functional theory and quantum information theory are briefly reviewed. We …
Quantum computing for chemistry and physics applications from a Monte Carlo perspective
G Mazzola - The Journal of Chemical Physics, 2024 - pubs.aip.org
This Perspective focuses on the several overlaps between quantum algorithms and Monte
Carlo methods in the domains of physics and chemistry. We will analyze the challenges and …
Carlo methods in the domains of physics and chemistry. We will analyze the challenges and …
Effective quantum volume, fidelity and computational cost of noisy quantum processing experiments
Today's experimental noisy quantum processors can compete with and surpass all known
algorithms on state-of-the-art supercomputers for the computational benchmark task of …
algorithms on state-of-the-art supercomputers for the computational benchmark task of …
Quantum computation of stopping power for inertial fusion target design
Stopping power is the rate at which a material absorbs the kinetic energy of a charged
particle passing through it—one of many properties needed over a wide range of …
particle passing through it—one of many properties needed over a wide range of …
Quantum simulation of battery materials using ionic pseudopotentials
Ionic pseudopotentials are widely used in classical simulations of materials to model the
effective potential due to the nucleus and the core electrons. Modeling fewer electrons …
effective potential due to the nucleus and the core electrons. Modeling fewer electrons …
Learning to decode the surface code with a recurrent, transformer-based neural network
Quantum error-correction is a prerequisite for reliable quantum computation. Towards this
goal, we present a recurrent, transformer-based neural network which learns to decode the …
goal, we present a recurrent, transformer-based neural network which learns to decode the …
Assessing the benefits and risks of quantum computers
Quantum computing is an emerging technology with potentially far-reaching implications for
national prosperity and security. Understanding the timeframes over which economic …
national prosperity and security. Understanding the timeframes over which economic …
Estimation of electrostatic interaction energies on a trapped-ion quantum computer
We present the first hardware implementation of electrostatic interaction energies by using a
trapped-ion quantum computer. As test system for our computation, we focus on the …
trapped-ion quantum computer. As test system for our computation, we focus on the …
Block-Invariant Symmetry Shift: Preprocessing technique for second-quantized Hamiltonians to improve their decompositions to Linear Combination of Unitaries
I Loaiza, AF Izmaylov - Journal of Chemical Theory and …, 2023 - ACS Publications
Computational cost of energy estimation for molecular electronic Hamiltonians via quantum
phase estimation (QPE) grows with the difference between the largest and smallest …
phase estimation (QPE) grows with the difference between the largest and smallest …
Assessing the query complexity limits of quantum phase estimation using symmetry-aware spectral bounds
The computational cost of quantum algorithms for physics and chemistry is closely linked to
the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its …
the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its …