Related papers: Spin parameter optimization for spin-polarized ext…
A model of dynamic orientation using optimized radiofrequency (RF) irradiation produced perpendicular to the holding field is developed for the spin-1 system required for tensor-polarized fixed-target experiments. The derivation applies to…
In complex simulation environments, certain parameter space regions may result in non-convergent or unphysical outcomes. All parameters can therefore be labeled with a binary class describing whether or not they lead to valid results. In…
We present a measurement scheme capable of achieving the quantum limit of parameter estimation using an adaptive strategy that minimizes the parameter's variance at each step. The adaptive rule we propose makes the scheme robust against…
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…
Controlling the spin transport at the single-molecule level, especially without the use of ferromagnetic contacts, becomes a focus of research in spintronics. Inspired by the progress on atomic-level molecular synthesis, through…
Faithfully simulating the dynamics of open quantum systems requires efficiently addressing the challenge of an infinite Hilbert space. Inspired by the shifted boson operator technique used in ground-state studies of the spin-boson model…
A WSe$_2$ monolayer shows many interesting properties due to its spin-orbit coupling induced spin splitting in bands around the Fermi level and the spin-valley configuration. The orientation of the spin polarization in the relevant bands is…
SABRE (Signal Amplification By Reversible Exchange) has become a widely used method for hyper-polarizing nuclear spins, thereby enhancing their Nuclear Magnetic Resonance (NMR) signals by orders of magnitude. In SABRE experiments,…
We introduce the Optimal Fingerprinting Process which is aimed at accurately identifying the parameters which characterize the dynamics of a physical system. A database is first built from the time evolution of an ensemble of dynamical…
Selective transfer of information between spin-1/2 particles arranged in a ring is achieved by optimizing the transfer fidelity over a readout time window via shaping, externally applied, static bias fields. Such static control fields have…
Noble-gas spins feature hours long coherence times owing to their great isolation from the environment, and find practical usage in various applications. However, this isolation leads to extremely slow preparation times, relying on weak…
The active driving of the electron spin of a color center is known as a method for the hyperpolarization of the surrounding nuclear spin bath and to initialize a system with large number of spins. Here, we investigate the efficiency of this…
Spin noise sets fundamental limits to the precision of measurements using spin-polarized atomic vapors, such as performed with sensitive atomic magnetometers. Spin squeezing offers the possibility to extend the measurement precision beyond…
Interatomic potentials provide a means to simulate extended length and time scales that are outside the reach of ab initio calculations. The development of an interatomic potential for a particular material requires the optimization of the…
Unbinned likelihood fits aim at maximizing the information one can extract from experimental data, yet their application in realistic statistical analyses is often hindered by the computational cost of profiling systematic uncertainties.…
Dynamic nuclear polarisation (DNP) refers to a class of techniques used to increase the signal in nuclear magnetic resonance measurements by transferring spin polarisation from ensembles of highly polarised electrons to target nuclear…
We propose a novel method for refining force-field parameters of protein systems. In this method, the agreement of the secondary-structure stability and instability between the protein conformations obtained by experiments and those…
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…
Hexagonal boron nitride (hBN) has emerged as a promising two-dimensional platform for quantum sensing, due to its optically addressable spin defects, such as the negatively charged boron vacancy ($V_{\text{B}}^-$). Despite hBN being…
We consider a numerical framework tailored to identifying optimal parameters in the context of modelling disease propagation. Our focus is on understanding the behaviour of optimisation algorithms for such problems, where the dynamics are…