Related papers: Overcoming positivity violations for density matri…
In order to study electron-transfer mediated chemical processes on a metal surface, one requires not one but two potential energy surfaces (one ground state and one excited state) as in Marcus theory. In this letter, we report that a novel,…
The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach the viscous forces arising from interparticle interactions…
The recent improvement in experimental capabilities for interrogating and controlling molecular systems with ultrafast coherent light sources calls for the development of theoretical approaches that can accurately and efficiently treat…
In machine learning applications, it is common practice to feed as much information as possible. In most cases, the model can handle large data sets that allow to predict more accurately. In the presence of data scarcity, a Few-Shot…
Recent experiments with increasingly larger numbers of qubits have sparked renewed interest in adiabatic quantum computation, and in particular quantum annealing. A central question that is repeatedly asked is whether quantum features of…
Adiabatic Quantum Computing relies on the quantum adiabatic theorem, which states that a quantum system evolves along its ground state with time if the governing Hamiltonian varies infinitely slowly. However, practical limitations force…
The powerful molecular dynamics (MD) simulation is basically based on a picture that the atoms experience classical-like trajectories under the exertion of classical force field determined by the quantum mechanically solved electronic…
For many relevant statistics of multivariate time series, no valid frequency domain bootstrap procedures exist. This is mainly due to the fact that the distribution of such statistics depends on the fourth-order moment structure of the…
We suggest a new method of studying coherence in finite level systems coupled to the environment and use it for the Hamiltonian that has been used to describe the light-harvesting pigment-protein complex. The method works with the adiabatic…
Numerical methods to improve the treatment of magnetic fields in smoothed field magnetohydrodynamics (SPMHD) are developed and tested. Chapter 2 is a review of SPMHD. In Chapter 3, a mixed hyperbolic/parabolic scheme is developed which…
The emergence of classical behaviour in quantum theory is often ascribed to the interaction of a quantum system with its environment, which can be interpreted as environmental monitoring of the system. As a result, off-diagonal elements of…
A longstanding puzzle of fundamental importance in modern cosmology has been the origin of the nearly universal density profiles of dark matter halos found in N-body simulations -- the so-called NFW profile. We show how this behavior may be…
Seismic surface wave dispersion inversion is used widely to study the subsurface structure of the Earth. The dispersion property is usually measured by using frequency-phase velocity (f-c) analysis and by picking phase velocities from the…
Standard density functional approximations often give questionable results for odd-electron radical complexes, with the error typically attributed to self-interaction. In density corrected density functional theory (DC-DFT), certain classes…
Linear-scaling implementations of density functional theory (DFT) reach their intended efficiency regime only when applied to systems having a physical size larger than the range of their Kohn-Sham density matrix (DM). This causes a problem…
The decoherence of a two-state system coupled with a sub-Ohmic bath is investigated theoretically by means of the perturbation approach based on a unitary transformation. It is shown that the decoherence depends strongly and sensitively on…
We consider an ensemble of quantum systems whose average evolution is described by a density matrix, solution of a Lindblad-Kossakowski differential equation. We focus on the special case where the decoherence is only due to a highly…
Coherent errors in quantum operations are ubiquitous. Whether arising from spurious environmental couplings or errors in control fields, such errors can accumulate rapidly and degrade the performance of a quantum circuit significantly more…
The dynamical behavior of switched affine systems is known to be more intricate than that of the well-studied switched linear systems, essentially due to the existence of distinct equilibrium points for each subsystem. First, under…
To find more deliberate f(R,T) cosmological solutions, we proceed our previous paper further by studying some new aspects of the considered models via investigation of some new cosmological parameters/quantities to attain the most…