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We present a study the initial stages of ice growth on pristine and oxygen-functionalized highly oriented pyrolytic graphite (O-HOPG), combining low-temperature scanning tunneling microscopy (LT-STM) and machine-learning structural…
Isolated hydrogen and hydrogen pairs in bulk diamond matrix have been studied using density functional theory calculations. The electronic structure and stability of isolated and paired hydrogen defects are investigated at different…
Anderson localization1 in a random system is sensitive to a distance dependence of the excitation transfer amplitude V(r). If V(r) decreases with the distance r slower than 1/r^d in a d-dimensional system then all excitations are…
We present a numerical study of settling and clustering of small inertial particles in homogeneous and isotropic turbulence. Particles are denser than the fluid, but not in the limit of being much heavier than the displaced fluid. At fixed…
We study the dynamics of water confined between hydrophobic flat surfaces at low temperature. At different pressures, we observe different behaviors that we understand in terms of the hydrogen bonds dynamics. At high pressure, the formation…
We consider the dynamical evolution of small-scale substructure in clusters within two extreme alternate scenarios for their possible origin: 1) the accretion of groups (or small clusters) on quasi-radial orbits, and 2) the merger of…
We study water between parallel metal walls under applied electric field accounting for the image effect at $T=298$ K. The electric field due to the surface charges serves to attract and orient nearby water molecules, while it tends to a…
Hydroxide ion transport and structure in aqueous media is fundamental to many chemical and biological processes. Research on hydroxide behavior has primarily focused on a single fully solvated hydroxide, either as an isolated cluster or in…
The Ionization Potentials of small Li_N clusters are calculated with a Shell Correction Method. They are used to illustrate that, within the jellium approximation, deformed cluster shapes provide an adequate description of the observed…
We analyze through the expectation value of the energy density the spatial nonlocality of single photons emitted by the spontaneous decay of a Hydrogen atom. By using a minimal coupling between the quantized electromagnetic field and the…
Electron transport through disordered quasi one-dimensional quantum systems is studied. Decoherence is taken into account by a spatial distribution of virtual reservoirs, which represent local interactions of the conduction electrons with…
The formation of spherical polaron clusters is studied within the Fr$\ddot{o}$hlich polaron theory. In a dilute polaron gas, using the non-local statistical approach and the polaron pair interaction obtained within the Pekar strong coupling…
A subsystem approach for obtaining electron binding energies in the valence region and apply it to the case of halide ions (X$^-$, X = F-At) in water. This approach is based on electronic structure calculations combining the relativistic…
Knots on ring polymers tend to be tight. For knots on charged polymers (polyelectrolytes), electrostatic repulsion among the monomers is considered to enhance the persistence length and further localize the knots. However, the effects of…
Recent observations show that small, young, stellar groupings of ~10 to 40 members tend of have a centrally-located most massive member, reminiscent of mass segregation seen in large clustered systems. Here, we analyze hydrodynamic…
While largely studied on the macroscopic scale, the dynamics leading to nucleation and fission processes in atmospheric aerosols are still poorly understood at the molecular level. Here, we present a joint experimental-theoretical study of…
The formation, movement and gluing of clusters can be described through a system of non local balance laws. Here, the well posedness of this system is obtained, as well as various stability estimates. Remarkably, qualitative properties of…
We report on the emergence of spontaneously rotating clusters in active emulsions. Ensembles of self-propelling droplets sediment and then self-organise into planar, hexagonally ordered clusters which hover over the container bottom while…
A minimal model of ionic aggregation in concentrated ZnCl$_2$ is developed, guided by molecular dynamics simulations with a machine-learned potential. It explicitly incorporates solvent-site depletion, correlated chloride binding, and…
Anions are formed by electron attachment to helium nanodroplets doped with N$_2$. The most prominent ion series is due to odd-numbered N$_m$$^{-}$ with 3 $\le$ m < 140. Neither N$^{-}$ nor N$_2$$^{-}$ are observed. An appearance energy of…