Related papers: Including many-body effects in models for ionic li…
We propose a method to generate pure many-body interactions in colloidal systems by using optical forces induced by random optical fields with an optimized spectral energy density. To assess the feasibility in general settings, we develop a…
Many theoretical studies were devoted in the past to ion-specific effects, trying to interpret a large body of experimental evidence, such as surface tension at air/water interfaces and force measurements between charged objects. Although…
The organization of live cells into tissues and their subsequent biological function involves inter-cell mechanical interactions, which are mediated by their elastic environment. To model this interaction, we consider cells as spherical…
Experimental investigations of surface forces generally involve two solid bodies of simple and well-defined geometry interacting across a medium. Direct measurement of their surface interaction can be interpreted to reveal fundamental…
When a gas in an externally imposed potential field is compressed, temperature gradients appear. This has been called the piezothermal effect. It is possible to analytically calculate the time-dependent behavior of the piezothermal effect…
Interactions between many-body atomic systems in optical lattices and light in cavities induce long-range and correlated atomic dynamics beyond the standard Bose-Hubbard model, due to the global nature of the light modes. We characterise…
Simulations of colloidal suspensions consisting of mesoscopic particles and smaller species such as ions or depletants are computationally challenging as different length and time scales are involved. Here, we introduce a machine learning…
There are several physically motivated density matrix functionals in the literature, built from the knowledge of the natural orbitals and the occupation numbers of the one-body reduced density matrix. With the help of the equivalent…
Multiple electron processes occur widely in atoms, molecules, clusters, and condensed matters when they are interacting with energetic particles or intense laser fields. In this work, a unified and accurate theoretical formalism is proposed…
There are many interesting physical processes which involve the generation of high density plasmas in large volumes. However, when modeling these systems numerically, the large densities and volumes present a significant computational…
Taking N2 and O2 as examples, we theoretically study the post-ionization dynamics of molecules in strong laser fields using a density matrix method for open systems, focusing on the effect of ionization-produced coherence on the dynamics of…
We study the melting behavior of charged colloidal crystals, using a simulation technique that combines a continuous mean-field Poisson-Boltzmann description for the microscopic electrolyte ions with a Brownian-dynamics simulation for the…
Massively-parallel molecular dynamics simulation is applied to systems containing electrolytes, vapour-liquid interfaces, and biomolecules in contact with water-oil interfaces. Novel molecular models of alkali halide salts are presented and…
New computational tools are essential for accurate modeling and simulation of the next generation of muon-based accelerators. One of the crucial physics processes specific to muon accelerators that has not yet been simulated in detail is…
We explore effective approaches for describing the dynamics of induced interactions amongst two non-interacting distinguishable impurities - Bose polarons - when their couplings to the host species are switched on. First, we evaluate the…
Modeling plasmas in terms of atoms or ions is theoretically appealing for several reasons. When it is relevant, the notion of atom or ion in a plasma provides us with an interpretation scheme of the plasma's internal functioning. From the…
We study multiple ionization in proton collisions with water, methane, and ammonia molecules using an independent-atom model. Previous work on total (net) capture and ionization cross sections is extended to treat the multiple ionization…
Modelling micro- and meso-scopic scale thermodynamic and transport properties of soft condensed matter hinges upon its representation. This is especially relevant for polar solvents such as water, since these require effective…
In this paper, we consider the field model for complex ionic fluids with an energy variational structure, and analyze the well-posedness to this model with regularized kernels. Furthermore, we deduce the estimate of the maximal density…
We introduce a new computational method to study porphyrin-like transition metal complexes, bridging density functional theory and exact many-body techniques, such as the density matrix renormalization group (DMRG). We first derive a…