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Quantum computing promises to revolutionize many-body simulations for quantum chemistry, but its potential is constrained by limited qubits and noise in current devices. In this work, we introduce the Lossy Quantum Selected Configuration…
Scattering probes the internal structure of quantum systems. We calculate the two-particle elastic scattering phase shift for a short-ranged interaction on a quantum computer. Short-ranged interactions with a large scattering length or…
We present a method, based on a non-Markovian Langevin equation, to include quantum corrections to the classical dynamics of ions in a quasi-harmonic system. By properly fitting the correlation function of the noise, one can vary the…
Computational physics is an important tool for analysing, verifying, and -- at times -- replacing physical experiments. Nevertheless, simulating quantum systems and analysing quantum data has so far resisted an efficient classical treatment…
Optimally-shaped electromagnetic fields have the capacity to coherently control the dynamics of quantum systems and thus offer a promising means for controlling molecular transformations relevant to chemical, biological, and materials…
In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…
We propose a scalable neutral atom quantum computer with an on-demand interaction through a selective two-qubit gate operation. Atoms are trapped by a lattice of near field Fresnel diffraction lights so that each trap captures a single…
Evolution of charged quantum fields under the action of constant nonuniform electric fields is studied. To this end we construct a special generating functional for density operators of the quantum fields with different initial conditions.…
We present the concept, derivation, and implementation of dynamical configuration interaction, a quantum embedding theory that combines Green's function methodology with the many-body wave function. In a strongly-correlated active space, we…
Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental…
Hyperfine energy levels in trapped ions offer long-lived spin states. In addition, the motion of these charged particles couples strongly to external electric field perturbations. These characteristics make trapped ions attractive platforms…
We evaluate the role of quantum coherence as a thermodynamic resource in a noisy, Markovian, one-qubit heat engine. By consuming the coherence of noisy quantum states, we demonstrate that the engine can surpass the classical efficiency…
Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…
NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that require shallow circuit depths and low qubit counts to take…
Algorithmic Cooling is a method that uses novel data compression techniques and simplecquantum computing devices to improve NMR spectroscopy, and to offer scalable NMR quantum computers. The algorithm recursively employs two steps. A…
Trapped atomic ion qubits or effective spins are a powerful quantum platform for quantum computation and simulation, featuring densely connected and efficiently programmable interactions between the spins. While native interactions between…
In a recent experiment, Barreiro et al. demonstrated the fundamental building blocks of an open-system quantum simulator with trapped ions [Nature 470, 486 (2011)]. Using up to five ions, single- and multi-qubit entangling gate operations…
Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly…
The notion of compressed quantum computation is employed to simulate the Ising interaction of a 1D--chain consisting out of $n$ qubits using the universal IBM cloud quantum computer running on $\log(n)$ qubits. The external field parameter…
Generic properties of the strength function (local density of states (LDOS)) and chaotic eigenstates are analyzed for isolated systems of interacting particles. Both random matrix models and dynamical systems are considered in the unique…