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We narrow the gap between simulations of nuclear magnetic resonance dynamics on digital domains (such as CT-images) and measurements in D-dimensional porous media. We point out with two basic domains, the ball and the cube in D dimensions,…
Nuclear Magnetic Resonance (NMR) is one of the main experimental tools to evaluate the production potential of porous rocks in oil wells. From the relative areas and mean values obtained from relaxation time distribution curves, information…
In this contribution, we compute the $^1$H nuclear magnetic resonance (NMR) relaxation rate of liquid water at ambient conditions. We are using structural and dynamical information from Coupled Cluster Molecular Dynamics (CCMD) trajectories…
In this paper, we propose numerical methods for computing the boundary local time of reflecting Brownian motion (RBM) in R3 and its use in the probabilistic representation of the solution of the Laplace equation with the Neumann boundary…
Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR…
We introduce a picture to analyze the density matrix renormalization group (DMRG) numerical method from a quantum information perspective. This leads us to introduce some modifications for problems with periodic boundary conditions in which…
Nuclear magnetic resonance (NMR) provides an experimental setting to explore physical implementations of quantum information processing (QIP). Here we introduce the basic background for understanding applications of NMR to QIP and explain…
For certain materials science scenarios arising in rubber technology, one-dimensional moving boundary problems (MBPs) with kinetic boundary conditions are capable of unveiling the large-time behavior of the diffusants penetration front,…
We describe how a local non-equilibrium nuclear polarisation can be generated and detected by electrical means in a semiconductor quantum point contact device. We show that measurements of the nuclear spin relaxation rate will provide clear…
We construct a local realistic hidden-variable model that describes the states and dynamics of bulk-ensemble NMR information processing up to about 12 nuclear spins. The existence of such a model rules out violation of any Bell inequality,…
The relaxation method used to solve boundary value problems is applied to study the variation of the magnetization orientation in several types of domain walls that occur in ferromagnetic materials. The algorithm is explained and applied to…
Wilson's Numerical Renormalization Group (NRG) is so far the only nonperturbative technique that can reliably access low-energy properties of quantum impurity systems. We present a recent extension of the method, the DM-NRG, which yields…
The nuclear spin is a prime candidate for quantum information applications due to its weak coupling to the environment and inherently long coherence times. However, this weak coupling also challenges the addressability of the nuclear spin.…
The NMR technique is quite essential as it permits atomic scale measurements in materials. The aim of this article is to present the main parameters accessible to NMR experiments and to relate them to the electronic properties of simple…
Characterization of the molecular properties of surfaces under ambient or chemically reactive conditions is a fundamental scientific challenge. Moreover, many traditional analytical techniques used for probing surfaces often lack dynamic or…
We demonstrate theoretically and numerically how to control the NMR relaxation rate after application of the standard spin echo technique. Using radiation damping, we return the nuclear magnetization to its equilibrium state during a time…
Objective: In medical imaging, it is often crucial to accurately assess and correct movement during image-guided therapy. Deformable image registration (DIR) consists in estimating the required spatial transformation to align a moving image…
There are many fields where the transition from diffusive to ballistic motion is important. Here we deal with relaxation processes in nmr in gases. Correlation functions for trajectory variables (position and velocity) valid across this…
Results of numerical simulations obtained by a staggered finite difference scheme together with an efficient immersed boundary method are presented to understand the effects of the shape of three-dimensional obstacles on the transition of a…
Our recent developments in in-situ nuclear magnetic resonance (NMR) spectroscopy under extreme conditions led to the observation of a wide variety of physical phenomena not accessible with standard high pressure experimental probes.…