Related papers: Exploring the cocrystallization potential of urea …
Gene-environment and nutrition-environment studies often involve testing of high-dimensional interactions between two sets of variables, each having potentially complex nonlinear main effects on an outcome. Construction of a valid and…
Hard electromagnetic radiation diffraction experiments on copper(I)-bromide melt are presented. Combining the result of this experiment with earlier neutron diffraction experiments the partial pair distribution functions of CuBr have been…
Hybrid atom-ion systems are a rich and powerful platform for studying chemical reactions, as they feature both excellent control over the electronic state preparation and readout as well as a versatile tunability over the scattering energy,…
We systematically study the relationship between equilibrium and non-equilibrium phase diagrams of a system of short-ranged attractive colloids. Using Monte Carlo and Brownian dynamics simulations we find a window of enhanced…
Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties…
Context : Despite the low cosmic abundance of deuterium (D/H ~ 1e-5), large degrees of deuterium fractionation in molecules are observed in star forming regions with enhancements that can reach 13 orders of magnitude, which current models…
Possible crystalline modifications of chemical compounds at low temperatures correspond to local minima of the energy landscape. Determining these minima via simulated annealing is one method for the prediction of crystal structures, where…
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions with rather well characterized pair interactions and minimized external influences. In complementary approaches therefore experiment, analytic…
A quantum impurity attached to an interacting quantum wire gives rise to an array of of new phenomena. Using Bethe Ansatz we solve exactly models describing two geometries of a quantum dot coupled to an interacting quantum wire: a quantum…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
We propose new types of density dependent contact pairing interaction which reproduce the pairing gaps in symmetric and neutron matter obtained by a microscopic treatment based on the nucleon-nucleon interaction. These interactions are able…
We consider a one-dimensional system comprising of $N$ run-and-tumble particles confined in a harmonic trap interacting via a repulsive inverse-square power-law interaction. We numerically compute the global density profile in the steady…
Despite two decades of studies, the formation of metallic glasses, very promising systems for industrial applications, still remains mostly unexplained. This lack of knowledge hinders the search for new systems, still performed with…
Using inverse statistical-mechanical optimization techniques, we have discovered isotropic pair interaction potentials with strongly repulsive cores that cause the tetrahedrally coordinated diamond and wurtzite lattices to stabilize, as…
We extend a recently introduced separable interaction for the unitary trapped Fermi gas to all values of the scattering length. We derive closed expressions for the interaction matrix elements and the two-particle eigenvectors and…
The BCS-BEC crossover in a lattice is a powerful paradigm to understand how a superconductor deviates from the Bardeen-Cooper-Schrieffer physics as the attractive interaction increases. Optical lattices loaded with binary mixtures of cold…
By means of ab-initio calculations in conjunction with the random-phase approximation (RPA) within the full-potential linearized augmented plane wave method we study the screening of the Coulomb interaction in NbxCo (1<=x<=9) clusters. In…
The hyperfine interactions at the uranium site in the antiferromagnetic USb2 compound were calculated within the density functional theory (DFT) employing the augmented plane wave plus local orbital (APW+lo) method. We investigated the…
Collisions of Bose-Einstein condensates can be used as a mean to generate correlated pairs of atoms. The scattered massive particles, in analogy to photon pairs in quantum optics, might be used in the violation of Bell's inequalities,…
Quasicrystals are frequently encountered in condensed matter. They are important candidates for equilibrium phases from the atomic scale to the nanoscale. Here, we investigate the computational self-assembly of four quasicrystals in a…