Related papers: Adaptive Basis Sets for Practical Quantum Computin…
Learning on small data is a challenge frequently encountered in many real-world applications. In this work we study how effective quantum ensemble models are when trained on small data problems in healthcare and life sciences. We…
Current quantum technology is approaching the system sizes and fidelities required for quantum error correction. It is therefore important to determine exactly what is needed for proof-of-principle experiments, which will be the first major…
Efficient computation of molecular energies is an exciting application of quantum computing for quantum chemistry, but current noisy intermediate-scale quantum (NISQ) devices can only execute shallow circuits, limiting existing variational…
We propose a new scalable platform for quantum computing (QC) -- an array of optically trapped symmetric-top molecules (STMs) of the alkaline earth monomethoxide (MOCH$_3$) family. Individual STMs form qubits, and the system is readily…
To make practical quantum algorithms work, large-scale quantum processors protected by error-correcting codes are required to resist noise and ensure reliable computational outcomes. However, a major challenge arises from defects in…
First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators achieve quadratic instead of quartic computational scaling…
Practical applications of quantum computing depend on fault-tolerant devices with error correction. Today, the most promising approach is a class of error-correcting codes called surface codes. We study the problem of compiling quantum…
Quantum simulation, one of the most promising applications of a quantum computer, is currently being explored intensely using the variational quantum eigensolver. The feasibility and performance of this algorithm depend critically on the…
Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
Existing quantum systems provide very limited physical qubit counts, trying to execute a quantum algorithm/circuit on them that have a higher number of logical qubits than physically available lead to a compile-time error. Given that it is…
Quantum computation for chemical problems will require the construction of guiding states with sufficient overlap with a target state. Since easily available and initializable mean-field states are characterized by an overlap that is…
Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…
The accurate treatment of electron correlation in extended molecular systems remains computationally challenging using classical electronic structure methods. Hybrid quantum-classical algorithms offer a potential route to overcome these…
Quantum compilation is the problem of translating an input quantum circuit into the most efficient equivalent of itself, taking into account the characteristics of the device that will execute the computation. Compilation strategies are…
Quantum mechanics dictates the band-structure of materials that is essential for functional electronic components. With increased miniaturization of devices, it becomes possible to exploit the full potential of quantum mechanics through the…
The quantum computing devices of today have tens to hundreds of qubits that are highly susceptible to noise due to unwanted interactions with their environment. The theory of quantum error correction provides a scheme by which the effects…
In this work, we propose and analyze optimization strategies for the VQE algorithm that combine various methods, including molecular point group symmetries (symmetry adaptation), compact excitation circuits (qubit-excitation-based),…
Accurately predicting protein structures from amino acid sequences remains a fundamental challenge in computational biology, with profound implications for understanding biological functions and enabling structure-based drug discovery.…
Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…