Related papers: Computing real time correlation functions on a hyb…
We propose a method for computing n-time correlation functions of arbitrary spinorial, fermionic, and bosonic operators, consisting of an efficient quantum algorithm that encodes these correlations in an initially added ancillary qubit for…
Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…
Quantum computing (QC) offers a new computing paradigm that has the potential to provide significant speedups over classical computing. Each additional qubit doubles the size of the computational state space available to a quantum…
Quantum Computers, one fully realized, can represent an exponential boost in computing power. However, the computational power of the current quantum computers, referred to as Noisy Internediate Scale Quantum, or NISQ, is severely limited…
Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…
Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…
Quantum computers have the potential to efficiently simulate the dynamics of nanoscale NMR systems. In this work we demonstrate that a noisy intermediate-scale quantum computer can be used to simulate and predict nanoscale NMR resonances.…
The fidelity of collisional-radiative (CR) models is critical for advancing our understanding of radiative properties and ionization balance in fusion plasmas. In this work, we present and evaluate hybrid CR schemes that combine…
Background: Understanding electronic interactions in protein active sites is fundamental to drug discovery and enzyme engineering, but remains computationally challenging due to exponential scaling of quantum mechanical calculations.…
Quantum processing units (QPUs) are currently exclusively available from cloud vendors. However, with recent advancements, hosting QPUs is soon possible everywhere. Existing work has yet to draw from research in edge computing to explore…
Quantum computers process information with the laws of quantum mechanics. Current quantum hardware is noisy, can only store information for a short time, and is limited to a few quantum bits, i.e., qubits, typically arranged in a planar…
A quantum version of transition state theory based on a quantum normal form (QNF) expansion about a saddle-centre-...-centre equilibrium point is presented. A general algorithm is provided which allows one to explictly compute QNF to any…
The simulation of strongly correlated fermionic systems remains one of the most significant challenges in computational physics due to the exponential growth of the Hilbert space and the fermionic sign problem. In this work, we present a…
We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…
Quantum computers use quantum mechanical phenomena to perform conventionally intractable calculations for specific problems. Despite being universal machines, quantum computers are not expected to replace classical computers, but rather, to…
Quantum computers have demonstrated utility in simulating quantum systems beyond brute-force classical approaches. As the community builds on these demonstrations to explore using quantum computing for applied research, algorithms and…
Quantum computers take advantage of the superpositional logic of quantum mechanics to allow for dramatic increases in computational efficiency. rf-SQUIDs show potential for quantum computing applications by forming the qubit component of a…
Many phenomena of strongly correlated materials are encapsulated in the Fermi-Hubbard model whose thermodynamical properties can be computed from its grand canonical potential according to standard procedures. In general, there is no closed…
First-principles calculations of high-temperature spin dynamics in solids in the context of nuclear magnetic resonance (NMR) is a long-standing problem, whose conclusive solution can significantly advance the applications of NMR as a…
Each year, the gap between theoretical proposals and experimental endeavours to create quantum computers gets smaller, driven by the promise of fundamentally faster algorithms and quantum simulations. This occurs by the combination of…