Related papers: Including many-body effects in models for ionic li…
We present a plane-wave ultrasoft pseudopotential implementation of first-principle molecular dynamics, which is well suited to model large molecular systems containing transition metal centers. We describe an efficient strategy for…
We report various many-body theoretical approaches to the nonlinear decay rate and energy loss of charged particles moving in an interacting free electron gas. These include perturbative formulations of the scattering matrix, the…
Effective interactions inherently encompass many-body effects that appear unified. Analyzing these in reverse, that is, separating them into contributions from pairs, triples, or larger groups, is typically intricate and seldom pursued.…
Room temperature ionic liquids (RTILs) are solvent with unusual properties, which are difficult to characterize experimentally because of their intrinsic complexity (large number of atoms, strong Coulomb interactions). Molecular simulations…
Induced interactions and bound states of charge carriers immersed in a quantum medium are crucial for the investigation of quantum transport. Ultracold atom-ion systems can provide a convenient platform for studying this problem. Here, we…
This work is concerned with a simple model for a polar fluid, a Gaussian field model based on the excess density and on the polarization. It is a convenient framework to implement the dielectric properties of correlated liquids that stem…
A system of interacting dipoles is of paramount importance for understanding of many-body physics. The interaction between dipoles is {\it anisotropic} and {\it long-range}. While the former allows to observe rich effects due to different…
Hard models for particle interactions have played a crucial role in the understanding of the structure of condensed matter. In particular, they help to explain the formation of oriented phases in liquids made of anisotropic molecules or…
Active soft bodies can affect their shape through an internal actuation mechanism that induces a deformation. Similar to recent work, this paper utilizes a differentiable, quasi-static, and physics-based simulation layer to optimize for…
The ion populations most frequently adopted for diagnostics in collisional plasmas are derived from the density independent, coronal approximation. In higher density, lower temperature conditions, ionisation rates are enhanced once…
We use a simple gas model to study non-equilibrium aspects of the multiparticle dynamics relevant to heavy ion collisions. By performing numerical simulations for various initial conditions we identify several characteristic features of the…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
The atomic-level control achievable in artificially-structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density 2D electron gases. Electronic-structure calculations show that the…
We calculate the Lambda polarization in an exact analytical, rotating model based on parameters extracted from a high resolution (3+1)D Particle-in-Cell Relativistic hydrodynamics calculation. The polarization is attributed to effects from…
The remarkable single particle control of individual ions combined with the versatility of ultracold atomic gases makes hybrid ion-atom system an exciting new platform for quantum simulation of few- and many-body quantum physics. Here, we…
Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. The hard spheres model has been indeed one of the cornerstones of the computational and theoretical description in…
The Fast Multipole Method (FMM) offers an acceleration for pairwise interaction calculation, known as $N$-body problems, from $\mathcal{O}(N^2)$ to $\mathcal{O}(N)$ with $N$ particles. This has brought dramatic increase in the capability of…
We demonstrate that a conditional wavefunction theory enables a unified and efficient treatment of the equilibrium structure and nonadiabatic dynamics of correlated electron-ion systems. The conditional decomposition of the many-body…
Relevant information about the nature of the dynamics of ions in electrolytes can be obtained by studying the nonlinear dependence on an applied electric field. Here we use molecular dynamics (MD) simulations to study the field effects for…
The fluctuations of ions in polar solvents remain poorly understood theoretically due to the complex coupling between ionic motion and solvent polarization. Indeed, while all-atom resolution can be achieved in numerical simulations,…