551 citations · 1.2k across the 16 of their papers we have counts for
17 papers
Spectral Born machines: classically trainable quantum generative models for discrete data
Austin Huang, William Maxwell, Vasilis Belis +4
We present \emph{spectral Born machines}, a class of quantum generative models that results from viewing and generalizing the class of IQP Born machines through the lens of group F…
Practical Estimation of Trotter Error for Hamiltonian Simulation
William Maxwell, Pablo A. M. Casares, Robert A. Lang +7
Trotter product formulas are a leading approach for Hamiltonian simulation on quantum computers, yet their practical performance has remained difficult to assess due to the challen…
Quantum algorithm for simulating resonant inelastic X-ray scattering in battery materials
Ignacio Loaiza, Alexander Kunitsa, Stepan Fomichev +9
Resonant inelastic X-ray scattering (RIXS) is the workhorse experimental technique for probing the structural degradation of higher-capacity cathode materials. However, the interpr…
Quantum Algorithms for Photoreactivity in Cancer-Targeted Photosensitizers
Yanbing Zhou, Pablo A. M. Casares, Diksha Dhawan +5
Photodynamic therapy (PDT) is a targeted cancer treatment that uses light-activated photosensitizers to generate reactive oxygen species that selectively destroy tumor cells, gener…
A differentiable quantum phase estimation algorithm
Davide Castaldo, Soran Jahangiri, Agostino Migliore +2
The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computi…
Tailgating quantum circuits for high-order energy derivatives
Jack Ceroni, Alain Delgado, Soran Jahangiri +1
To understand the chemical properties of molecules, it is often important to study derivatives of energies with respect to nuclear coordinates or external fields. Quantum algorithm…
Simulating key properties of lithium-ion batteries with a fault-tolerant quantum computer
Alain Delgado, Pablo A. M. Casares, Roberto dos Reis +9
There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing me…
Quantum simulation of molecules in solution
Davide Castaldo, Soran Jahangiri, Alain Delgado +1
Quantum chemical calculations on quantum computers have been focused mostly on simulating molecules in gas-phase. Molecules in liquid solution are however most relevant for Chemist…
Differentiable quantum computational chemistry with PennyLane
Juan Miguel Arrazola, Soran Jahangiri, Alain Delgado +15
This work describes the theoretical foundation for all quantum chemistry functionality in PennyLane, a quantum computing software library specializing in quantum differentiable pro…
Variational quantum algorithm for molecular geometry optimization
Alain Delgado, Juan Miguel Arrazola, Soran Jahangiri +4
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom s…
Universal quantum circuits for quantum chemistry
Juan Miguel Arrazola, Olivia Di Matteo, Nicolás Quesada +3
Universal gate sets for quantum computing have been known for decades, yet no universal gate set has been proposed for particle-conserving unitaries, which are the operations of in…
Quantum circuits with many photons on a programmable nanophotonic chip
J. M. Arrazola, V. Bergholm, K. Brádler +36
Growing interest in quantum computing for practical applications has led to a surge in the availability of programmable machines for executing quantum algorithms. Present day photo…
Quantum Algorithm for Simulating Single-Molecule Electron Transport
Soran Jahangiri, Juan Miguel Arrazola, Alain Delgado
An accurate description of electron transport at a molecular level requires a precise treatment of quantum effects. These effects play a crucial role in determining the electron tr…
Quantum Algorithm for Simulating Molecular Vibrational Excitations
Soran Jahangiri, Juan Miguel Arrazola, Nicolás Quesada +1
The excitation of vibrational modes in molecules affects the outcome of chemical reactions, for example by providing molecules with sufficient energy to overcome activation barrier…
Applications of Near-Term Photonic Quantum Computers: Software and Algorithms
Thomas R. Bromley, Juan Miguel Arrazola, Soran Jahangiri +7
Gaussian Boson Sampling (GBS) is a near-term platform for photonic quantum computing. Recent efforts have led to the discovery of GBS algorithms with applications to graph-based pr…
Point Processes with Gaussian Boson Sampling
Soran Jahangiri, Juan Miguel Arrazola, Nicolás Quesada +1
Random point patterns are ubiquitous in nature, and statistical models such as point processes, i.e., algorithms that generate stochastic collections of points, are commonly used t…
PennyLane: Automatic differentiation of hybrid quantum-classical computations
Ville Bergholm, Josh Izaac, Maria Schuld +65
PennyLane is a Python 3 software framework for differentiable programming of quantum computers. The library provides a unified architecture for near-term quantum computing devices,…