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Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…
Non-covalent interactions are a key ingredient to determine the structure, stability, and dynamics of materials, molecules, and biological complexes. However, accurately capturing these interactions is a complex quantum many-body problem,…
Many-body systems of quantum interacting particles in which time-reversal symmetry is broken give rise to a variety of rich collective behaviors, and are therefore a major target of research in modern physics. Quantum simulators can…
Estimating molecular ground-state energies is a central application of quantum computing, requiring both the preparation of accurate quantum states and efficient energy readout. Understanding the effect of hardware noise on these…
The precision advantages offered by harnessing the quantum states of sensors can be readily compromised by noise. However, when the noise has a different spatial function than the signal of interest, recent theoretical work shows how the…
Quantum computers are expected to achieve a significant speed-up over classical computers in solving a range of computational problems. Chains of ions held in a linear Paul trap are a promising platform for constructing such quantum…
Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…
Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this work, we give quantum algorithms which, given any $k$-body Hamiltonian $H$, compute an estimate for the ground state…
Using discrete and continuous variable subsystems, hybrid approaches to quantum information could enable more quantum computational power for the same physical resources. Here, we propose a hybrid scheme that can be used to generate the…
We have demonstrated a prototypical hybrid classical and quantum computational workflow for the quantification of protein-ligand interactions. The workflow combines the Density Matrix Embedding Theory (DMET) embedding procedure with the…
Strongly interacting fermions underpin some of the most challenging problems in condensed matter physics, such as high-temperature superconductivity. The low-energy states of these systems encode their essential microscopic properties, yet…
We consider the question of how correlated the system hardness is between classical algorithms of electronic structure theory in ground state estimation and quantum algorithms. To define the system hardness for classical algorithms we…
Quantum error mitigation has been extensively explored to increase the accuracy of the quantum circuits in noisy-intermediate-scale-quantum (NISQ) computation, where quantum error correction requiring additional quantum resources is not…
While most work on the quantum simulation of chemistry has focused on computing energy surfaces, a similarly important application requiring subtly different algorithms is the computation of energy derivatives. Almost all molecular…
Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the…
The transport of excitations governs fundamental properties of matter. Particularly rich physics emerges in the interplay between disorder and environmental noise, even in small systems such as photosynthetic biomolecules.…
We show how one can implement a quantum heat machine by using two interacting trapped ions, in presence of a thermal bath. The electronic states of the ions act like a working substance, while the vibrational mode is modelled as the cold…
We present an entangling gate scheme for trapped-ion chains that achieves high-fidelity operations with excited motional states despite multiple error sources. Our approach incorporates all relevant motional modes and exhibits enhanced…
Quantum simulation of interacting many-body spin systems is routinely performed with cold trapped ions, and systems with hundreds of spins have been studied in one and two dimensions. In the most common realizations of these platforms, spin…