Related papers: Hybrid quantum-classical method for simulating hig…
We investigate the limits of effectiveness of classical spin simulations for predicting free induction decays (FIDs) measured by solid-state nuclear magnetic resonance (NMR) on systems of quantum nuclear spins. The specific limits…
Nuclear spin-1/2 lattices where each spin has a small effective number of interacting neighbors represent a particular challenge for first-principles calculations of free induction decays (FIDs) observed by nuclear magnetic resonance (NMR).…
Classical simulations of high-temperature nuclear spin dynamics in solids are known to accurately predict relaxation for spin 1/2 lattices with a large number of interacting neighbors. Once the number of interacting neighbors becomes four…
A new approach is presented that treats NMR spin-spin relaxation as kinetics in spin phase space. The approach is applied to free induction decay (FID) in solids containing equivalent nuclear spins 1/2. The description obtained does not…
The free-induction decay (FID) of the transverse magnetization in a dipolar-coupled rigid lattice is a fundamental problem in magnetic resonance and in the theory of many-body systems. As it was shown earlier the FID shapes for the systems…
Nuclear magnetic resonance (NMR) has been a widely used tool in various scientific fields and practical applications, with quantum control emerging as a promising strategy for synergistic advancements. In this paper, we propose a novel…
We present a new experimental investigation of the NMR free induction decay (FID) in a lattice of spin-1/2 nuclei in a strong Zeeman field. Following a pi/2 pulse, evolution under the secular dipolar Hamiltonian preserves coherence number…
The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT)…
Atomistic spin dynamics (ASD) is a standard tool to model the magnetization dynamics of a variety of materials. The fundamental dynamical model underlying ASD is entirely classical. In this paper, we present two approaches to effectively…
The many body quantum dynamics of dipolar coupled nuclear spins I = 1/2 on an otherwise isolated cubic lattice are studied with nuclear magnetic resonance (NMR). By increasing the signal-to-noise ratio by two orders of magnitude compared…
The algebraic reformulation of molecular Quantum Electrodynamics (mQED) at finite temperatures is applied to Nuclear Magnetic Resonance (NMR) in order to provide a foundation for the reconstruction of much more detailed molecular…
We investigate analytically and numerically the Multiple Quantum (MQ) NMR dynamics in systems of nuclear spins 1/2 coupled by the dipole-dipole interactions in the case of the dipolar ordered initial state. We suggest two different methods…
An experiment demonstrating the quantum simulation of a spin-lattice Hamiltonian is proposed. Dipolar interactions between nuclear spins in a solid state lattice can be modulated by rapid radio-frequency pulses. In this way, the effective…
Inspired by path integral molecular dynamics, we build a spin model, in terms of spin coherent states, from which we can compute the quantum expectation values of a spin in a constant magnetic field, at finite temperature. This formulation…
A recently developed dynamic mean-field theory for disordered spins (spinDMFT) is shown to capture the spin dynamics of nuclear spins very well. The key quantities are the spin autocorrelations. In order to compute the free induction decay…
This article presents numerical recipes for simulating high-temperature and non-equilibrium quantum spin systems that are continuously measured and controlled. The notion of a spin system is broadly conceived, in order to encompass…
The usefulness of solid-state spins in quantum technologies depends on how long they can remain in a coherent superposition of quantum states. This Colloquium discusses how first-principles simulations can predict spin dynamics for…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
The dynamics of disordered nuclear spin ensembles are the subject of nuclear magnetic resonance studies. Due to the through-space long-range dipolar interaction generically many spins are involved in the time evolution, so that exact brute…
Quantum computers hold great promise for arriving at exact simulations of nuclear dynamical processes (e.g., scattering and reactions) that are paramount to the study of nuclear matter at the limit of stability and to explaining the…