Related papers: Resource estimations for the Hamiltonian simulatio…
Improving the efficiency and accuracy of energy calculations has been of significant and continued interest in the area of materials informatics, a field that applies machine learning techniques to computational materials data. Here, we…
Various Hamiltonian simulation algorithms have been proposed to efficiently study the dynamics of quantum systems on a quantum computer. The existing algorithms generally approximate the time evolution operators, which may need a deep…
We show here that the Hamiltonian for an electronic system may be written exactly in terms of fluctuation operators that transition constituent fragments between internally correlated states, accounting rigorously for inter-fragment…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…
A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…
The practical use of many types of near-term quantum computers requires accounting for their limited connectivity. One way of overcoming limited connectivity is to insert swaps in the circuit so that logical operations can be performed on…
Simulating interactions between fermions and bosons is central to understanding correlated phenomena, yet these systems are inherently difficult to treat classically. Previous quantum algorithms for fermion-boson models exhibit computation…
We develop a workflow to use current quantum computing hardware for solving quantum many-body problems, using the example of the fermionic Hubbard model. Concretely, we study a four-site Hubbard ring that exhibits a transition from a…
Correlated systems represent a class of materials that are difficult to describe through traditional electronic structure methods. The computational demand to simulate the structural dynamics of such systems, with correlation effects…
We develop a hardware-efficient ansatz for variational optimization, derived from existing ansatze in the literature, that parametrizes subsets of all interactions in the Cost Hamiltonian in each layer. We treat gate orderings as a…
Trapped-ion quantum simulators, in analog and digital modes, are considered a primary candidate to achieve quantum advantage in quantum simulation and quantum computation. The underlying controlled ion-laser interactions induce all-to-all…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
Accurate modeling of driven light-matter interactions is essential for quantum technologies, where natural and synthetic atoms are used to store and process quantum information, mediate interactions between bosonic modes, and enable…
The construction of two-qubit gates appropriate for universal quantum computation is of enormous importance to quantum information processing. Building such gates is dependent on accurate knowledge of the interaction dynamics between two…
We consider the strong coupling limit of lattice QCD with massless staggered quarks and study the resource requirements for quantum simulating the theory in its Hamiltonian formulation. The bosonic Hilbert space of the color-singlet degrees…
Product formula approximations of the time-evolution operator on quantum computers are of great interest due to their simplicity, and good scaling with system size by exploiting commutativity between Hamiltonian terms. However, product…
We present a quantum algorithm for simulating the dynamics of a first-quantized Hamiltonian in real space based on the truncated Taylor series algorithm. We avoid the possibility of singularities by applying various cutoffs to the system…
We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…
We consider a hybrid quantum system consisting of a qubit system continuously evolving according to its fixed own Hamiltonian and a quantum computer. The qubit system couples to a quantum computer through a fixed interaction Hamiltonian,…