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We re-investigate the interactions between static color sources in a finite temperature gluonic medium using both high resolution isotropic and anisotropic quenched lattice QCD ensembles. The underlying ill-posed inverse problem, related to…
While the ongoing search to discover new high-entropy systems is slowly expanding beyond metals, a rational and effective method for predicting "in silico" the solid solution forming ability of multi-component systems remains yet to be…
Elastic scattering between $\alpha$-particles and $^{12}\mathrm{C}$ nuclei plays a crucial role in understanding resonance phenomena in light nuclear systems. In this work, we construct inverse potentials for resonant states in…
We review a recent approach for the simulation of many-body interacting systems based on an efficient generalization of the Lanczos method for Quantum Monte Carlo simulations. This technique allows to perform systematic corrections to a…
The paper contains a development of the previously proposed generalized lattice model (GLM). In contrast to usual lattice models, the difference of the specific atomic volumes of the components is taken in account in GLM. In addition to…
We describe a method for calculating the probability with which the wall of a plasma absorbs an electron at low energy. The method, based on an invariant embedding principle, expresses the electron absorption probability as the probability…
This work provides a rigorous analysis of Bain-type cuboidal lattice transformations, which connect the face-centered cubic (fcc), mean-centered cubic (mcc), body-centered cubic (bcc) and axially centered cubic (acc) lattices. Our study…
The adaptively compressed exchange (ACE) method provides an efficient way for solving Hartree-Fock-like equations in quantum physics, chemistry, and materials science. The key step of the ACE method is to adaptively compress an operator…
The potential energy of a static charge distribution on a lattice is rigorously computed in the standard compact quantum electrodynamic model. The method used follows closely that of Weyl for ordinary quantum electrodynamics in continuous…
We present a method for the creation of closed-loop lattices for ultra-cold atoms using dressed potentials. We analytically describe the generation of trap lattices that are state-dependent, with dynamically controlled lattice depths and…
We present a quantum electronic embedding method derived from the exact factorization approach to calculate static properties of a many-electron system. The method is exact in principle but the practical power lies in utilizing input from a…
We report on the utility of using Shannons Sampling theorem to solve Quantum Mechanical systems. We show that by extending the logic of Shannons interpolation theorem we can define a Universal Lattice Basis, which has superior interpolating…
In a cold atom gas subject to a 2D spin-dependent optical lattice potential with hexagonal symmetry, trapped atoms undergo orbital motion around the potential minima. Such atoms are elementary quantum rotors. We develop the theory of such…
The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre Lennard-Jones fluids at high density state points. The results agree…
The possibility of deriving the contact potentials between amino acids from their frequencies of occurence in proteins is discussed in evolutionary terms. This approach allows the use of traditional thermodynamics to describe such…
The study of the properties of quantum particles in a periodic potential subject to a magnetic field is an active area of research both in physics and mathematics; it has been and it is still deeply investigated. In this review we discuss…
We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a…
The simulation of strongly correlated electron systems remains a formidable challenge. Certain experimentally relevant dynamical response functions are especially difficult to calculate, due to issues of finite-size effects and the ill…
An interatomic potential (termed EAM-21) has been developed with the embedded atomic method (EAM) for CrFeMnNi quaternary HEAs. This potential is based on a previously developed potential for CrFeNi ternary alloys. The parameters to develop…
A lattice Boltzmann method is proposed based on the expansion of the equilibrium distribution function in powers of a new set of generalized orthonormal polynomials which are here presented. The new polynomials are orthonormal under the…