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Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective potential acting only on the valence states. This is inherently…
Resetting, as a protocol that restarts the evolution of a system, can significantly influence stochastic dynamics. One notable effect is the emergence of stationary states in unbounded potentials, where such states would otherwise be absent…
Analytical formulas for the excitation energies as well as for the electric quadrupole reduced transition probabilities in the ground, beta and gamma bands were derived within the coherent state model for the near vibrational and well…
Discrete time crystals are related to non-equilibrium dynamics of periodically driven quantum many-body systems where the discrete time translation symmetry of the Hamiltonian is spontaneously broken into another discrete symmetry.…
We study the dynamics of initial nucleation processes of photoinduced structural change of molecular crystals. In order to describe the nonadiabatic transition in each molecule, we employ a model of localized electrons coupled with a fully…
This paper explores the utility of the quantum phase estimation (QPE) in calculating high-energy excited states characterized by promotions of electrons occupying inner energy shells. These states have been intensively studied over the last…
Quantum coherence is one of the fundamental aspects distinguishing classical and quantum theories. Coherence between different energy eigenstates is particularly important, as it serves as a valuable resource under the law of energy…
We study switching between period-two states of an underdamped quantum oscillator modulated at nearly twice its natural frequency. For all temperatures and parameter values switching occurs via quantum activation: it is determined by…
The paper presents a computational stochastic model of virtual cells irradiation, based on Quasi-Markov Chain Monte Carlo method and using biophysical input. The model is based on a stochastic tree of probabilities for each cell of the…
Extending the scheme developed for a single mode of the electromagnetic field in the preceding paper ``Structure of multiphoton quantum optics. I. Canonical formalism and homodyne squeezed states'', we introduce two-mode nonlinear canonical…
Quantum coherence profoundly alters classical thermodynamic expectations by modifying the structure and accessibility of probability distributions. Classically, transitions to lower-entropy states (local second-law violations) are…
Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…
Understanding the mechanisms that limit high-fidelity readout in circuit quantum electrodynamics is essential for its optimization. Multi-photon resonances are understood to be a limiting factor, causing population transfer from the…
Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…
We consider quantum many-body systems evolving under a time-independent Hamiltonian $H$ from a nonequilibrium initial state at time $t=0$ towards a close-to-equilibrium state at time $t=\tau$. Subsequently, this state is slightly perturbed…
Ordered chains (such as chains of amino acids) are ubiquitous in biological cells, and these chains perform specific functions contingent on the sequence of their components. Using the existence and general properties of such sequences as a…
Qubit reset is crucial in quantum technology and is typically achieved by coupling the qubit to a dissipative environment. However, the achievable speed and fidelity are limited by qubit-environment entanglement. We use exact tensor-network…
We address the question of which quantum states can be inter-converted under the action of a time-dependent Hamiltonian. In particular, we consider the problem applied to mixed states, and investigate the difference between pure and…
Driven many-body quantum systems where some parameter in the Hamiltonian is varied quasiperiodically in time may exhibit nonequilibrium steady states that are qualitatively different from their periodically driven counterparts. Here we…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…