相关论文: Detection of residual native state entropy changes…
We use quantum information measures to study the local quantum phase transition that occurs for trapped spinless fermions in one-dimensional lattices. We focus on the case of a harmonic confinement. The transition occurs upon increasing the…
We examine the NMR experimental data for the normal state of YBa$_2$Cu$_3$O$_{7-\delta}$ within the Fermi-liquid approach. We show that the observed temperature dependence of the Knight shift and $^{17}$O ($^{89}$Y) relaxation rate in…
Under certain conditions, the dynamics of coarse-grained models of solvated proteins can be described using a Markov state model, which tracks the evolution of populations of configurations. The transition rates among states that appear in…
Here we investigate how local properties of particles in a thermal bath influence the thermodynamics of the bath. We utilize nanothermodynamics, based on two postulates: that small systems can be treated self-consistently by coupling to an…
The low energy spin excitations of the Fe pnictide parent compounds have been determined by inelastic neutron scattering and interpreted within the local moment J_1a,b-J_2 Heisenberg model with orthorhombic symmetry. This has led to…
We consider the consequences of the presence of metric fluctuations upon the properties of a hydrogen atom. Particularly, we introduce these metric fluctuations in the corresponding effective Schroedinger equation and deduce the…
We estimate sensitivity coefficients to variation of the fine-structure constant alpha and electron-to-proton mass ratio mu for microwave Lambda-type transitions in CH molecule and for inversion-rotational transitions in partly deuterated…
The spectroscopic response of and structural dynamics around all azido-modified alanine residues (AlaN$_3$) in Lysozyme is characterized. It is found that AlaN$_3$ is a positionally sensitive probe for the local dynamics, covering a…
The lattice dynamics of solid 4He has been explored using pulsed NMR methods to study the motion of 3He impurities in the temperature range where experiments have revealed anomalies attributed to superflow or unexpected viscoelastic…
The aim of this study is to analyze the stability of the Alfven eigenmodes (AE) in the Chinese First Quasi-axisymmetric Stellarator (CFQS). The AE stability is calculated using the code FAR3d that solves the reduced MHD equations to…
Nuclear magnetic resonance relaxometry represents a powerful tool for extracting dynamic information. Yet, obtaining links to molecular motion is challenging for many ions that relax through the quadrupolar mechanism, which is mediated by…
We carry out a theoretical study of the vibrational and relaxation properties of naturally-occurring proteins with the purpose of characterizing both the folding and equilibrium thermodynamics. By means of a suitable model we provide a full…
Recently it was discovered that altering the shape of the meta stable and unstable branches of an equation of state (EOS) can greatly improve the numerical accuracy of liquid and gas densities in the pseudopotential method. Inspired by this…
Nuclear magnetic resonance (NMR) is sensitive to dynamics on a wide range of correlation times. Recently, we have shown that analysis of relaxation rates via fitting to a correlation function with a small number of exponential terms could…
It is shown by the Wilson numerical renormalization group method that a strongly correlated impurity with a crystalline-electric-field singlet ground state in the f^2-configuration exhibits an anomalous local Fermi liquid state in which the…
$^{75}$As Nuclear Magnetic (NMR) and Quadrupolar (NQR) Resonance were used, together with M\"{o}ssbauer spectroscopy, to investigate the magnetic state induced by Mn for Fe substitutions in F-doped LaFe$_{1-x}$Mn$_{x}$AsO superconductors.…
19F isotropic chemical shifts for alkali, alkaline earth and rare earth of column 3 basic fluorides are measured and the corresponding isotropic chemical shieldings are calculated using the GIPAW method. When using PBE exchange correlation…
Gene products (RNAs, proteins) often occur at low molecular counts inside individual cells, and hence are subject to considerable random fluctuations (noise) in copy number over time. Not surprisingly, cells encode diverse regulatory…
The magnetic properties of Fe$_3$O$_4$ nanoparticle assemblies have been investigated in detail through a combination of vibrating sample magnetometry and muon spin relaxation ($\mu$SR) techniques. Two samples with average particle sizes of…
Protein rigidity and flexibility can be analyzed accurately and efficiently using the program FIRST. Previous studies using FIRST were designed to analyze the rigidity and flexibility of proteins using a single static (snapshot) structure.…