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Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…
Quantum simulation involves engineering devices to implement different Hamiltonians and measuring their quantized spectra to study quantum many-body systems. Recent developments in topological photonics have shown the possibility of…
Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…
Engineering, controlling, and simulating quantum dynamics is a strenuous task. However, these techniques are crucial to develop quantum technologies, preserve quantum properties, and engineer decoherence. Earlier results have demonstrated…
The dynamics of a decohering two-level system driven by a suitable control Hamiltonian is studied. The control procedure is implemented as a sequence of radiofrequency pulses that repetitively flip the state of the system, a technique that…
We show how the decoherence that occurs in an entangling atomic spin-light interface can be simply modeled as the dynamics of a bosonic mode. Although one seeks to control the collective spin of the atomic system in the permutationally…
We develop a method to deduce the symmetry properties of many-body Hamiltonians when they are prepared in Jordan-Wigner form for evaluation on quantum computers. Symmetries, such as point-group symmetries in molecules, are apparent in the…
We investigate the decoherence process for a quantum register composed of N qubits coupled to an environment. We consider an environment composed of one common phonon bath and several electronic baths. This environment is relevant to the…
We propose an iterative algorithm to simulate the dynamics generated by any $n$-qubit Hamiltonian. The simulation entails decomposing the unitary time evolution operator $U$ (unitary) into a product of different time-step unitaries. The…
We give a theoretical treatment of the interaction of electronic excitations (excitons) in biomolecules and quantum dots with the surrounding polar solvent. Significant quantum decoherence occurs due to the interaction of the electric…
Accurately modeling the electronic structure of water across scales, from individual molecules to bulk liquid, remains a grand challenge. Traditional computational methods face a critical trade-off between computational cost and efficiency.…
We study a model of dephasing (decoherence) in a two-state quantum system (qubit) coupled to a bath of harmonic oscillators. An exact analytic solution for the reduced dynamics of a two-state system in this model has been obtained…
Decoherence of a quantum system (which then starts to display classical features) results from the interaction of the system with the environment, and is well described in the framework of the theory of continuous quantum measurements…
Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic…
Controlable strong interaction of the qubit's bath with an external system (i.e. with the bath's environment) allows for choosing the conditions under which the decoherence of the qubit's states can be substantially decreased (in a certain…
We analyze a model problem representing a multi-electronic molecule sitting on a metal surface. Working with a reduced configuration interaction Hamiltonian, we show that one can extract very accurate ground state wavefunctions as compared…
A well-known approach to describe the dynamics of an open quantum system is to compute the master equation evolving the reduced density matrix of the system. This approach plays an important role in describing excitation transfer through…
Quantum beats in nonlinear spectroscopy of molecular aggregates are often attributed to electronic phenomena of excitonic systems, while nuclear degrees of freedom are commonly included into models as overdamped oscillations of bath…
A theory of electronic friction is developed using the exact factorization of the electron-nuclear wavefunction. No assumption is made regarding the electronic bath, which can be made of independent or interacting electrons, and the nuclei…
Electronic final states generated by sudden changes of the Hamiltonian are studied here, with emphasis on nuclear charge variation in $\beta$ decay. A $\lambda$-parametrized family $\hat H(\lambda)$ that continuously connects the initial…