Related papers: Functional State Dependence of Picosecond Protein …

Using a second-order perturbative Green's functions approach we determined the normal state single-particle spectral function $A(\vec{k},\omega)$ employing a minimal effective model for iron-based superconductors. The microscopic model,…

We analyze a microscopic RNA model, which includes two widely used models as limiting cases, namely it contains terms for bond as well as for stacking energies. We numerically investigate possible changes in the qualitative and quantitative…

Lead halide perovskite nanocrystals (NCs) in a glass matrix combine excellent optical properties and stability against environment. The spectral and temporal characteristics of photoluminescence from CsPbBr$_3$ and CsPb(Cl,Br)$_3$…

Studying protein interactions at low temperatures has important implications for optimizing cryostorage processes of biological tissue, food, and protein-based drugs. One of the major challenges is related to the formation of ice…

A protein model with the pairwise interaction energies varying as local environment changes, i.e., including some kinds of collective effect between the contacts, is proposed. Lattice Monte Carlo simulations on the thermodynamical…

The thermodynamic behavior of a three-dimensional off-lattice model for protein folding is probed. The model has only two types of residues, hydrophobic and hydrophilic. In absence of local interactions, native structure formation does not…

We present a pressure dependence study of the dynamics of lysozyme protein powder immersed in deuterated $\alpha$,$\alpha$-trehalose environment via quasi-elastic neutron scattering (QENS). The goal is to assess the baro-protective benefits…

Using a large scale molecular dynamics computer simulation we investigate the dynamics of a supercooled melt of SiO_2. We find that with increasing temperature the temperature dependence of the diffusion constants crosses over from an…

The dissipation of energy in dynamic force microscopy is usually described in terms of an adhesion hysteresis mechanism. This mechanism should become less efficient with increasing temperature. To verify this prediction we have measured…

We use large-scale molecular dynamics simulations to study the kinetics of the liquid-gas phase separation if the temperature is lowered across the glass transition of the dense phase. We observe a gradual change from phase separated…

The first-principle theory of electron dephasing by disorder-induced two state fluctuators is developed. There exist two mechanisms of dephasing. First, dephasing occurs due to direct transitions between the defect levels caused by…

The temperature dependence of optical constants of titanium nitride thin film is investigated using spectroscopic ellipsometry between 1.4 to 5 eV in the temperature range 300 K to 650 K in steps of 50 K. The real and imaginary parts of the…

We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…

We present a detailed study on the temperature-dependent THz spectra of the polycrystalline amino acids L-serine and L-cysteine for wave numbers from 20 to 120 cm-1 and temperatures from 4 to 300 K. Even though the structure of these two…

The resistive response of Ba(Fe$_{1-x}$Co$_{x}$)$_{2}$As$_{2}$ to AC mechanical deformation is considered in the multi-domain state. This resistance change depends both upon the anelastic relaxation of domain walls and upon the relation…

Using density functional theory we examine the crystal structure and the finite-temperature thermodynamics of formation and dehydrogenation for the new quaternary hydride Li4BN3H10. Two recent studies based on X-ray and neutron diffraction…

Experiments in bulk water confirm the existence of two local arrangements of water molecules with different densities, but, because of inevitable freezing at low temperature $T$, can not ascertain whether the two arrangements separate in…

Normal mode analysis is a widely used technique for reconstructing conformational changes of proteins from the knowledge of native structures. In this Letter, we investigate to what extent normal modes capture the salient features of the…

Protein folding cooperativity is defined by the nature of the finite-size thermodynamic transition exhibited upon folding: two-state transitions show a free energy barrier between the folded and unfolded ensembles, while downhill folding is…

The doping dependence of dry thermal oxidation rates in n-type 4H-SiC was investigated. The oxidation was performed in the temperature range 1000C to 1200C for samples with nitrogen doping in the range of 6.5e15/cm3 to 9.3e18/cm3, showing a…