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We present a scattering approach for the study of the transport and thermodynamics of quantum systems strongly coupled to their thermal environment(s). This formalism recovers the standard non-equilibrium Green's function expressions for…
We study the structure and the dynamics in the formation of irreversible gels by means of molecular dynamics simulation of a model system where the gelation transition is due to the random percolation of permanent bonds between neighboring…
High-resolution spectroscopy allows one to probe weak interactions and to detect subtle phenomena. While such measurements are routinely performed on atoms and molecules in the gas phase, spectroscopy of adsorbed species on surfaces is…
The dynamics of a dissipationless incompressible Hall magnetohydrodynamic (HMHD) medium is formulated using Lagrangian mechanics on a semidirect product of two volume preserving diffeomorphism groups. In the case of $\mathbb{T}^3$ or $E^3$,…
Transforming CO$_2$ into methanol represents a crucial step towards closing the carbon cycle, with thermoreduction technology nearing industrial application. However, obtaining high methanol yields and ensuring the stability of…
The Butler-Volmer (BV) equation links the current flux crossing an electrochemical interface to the electric potential drop across it with the assumption of Arrhenius kinetics and the Boltzmann factor. Applying the semilogarithmic Tafel…
The Hagedorn regime of string theory is usually understood as an equilibrium limiting phenomenon: the exponential growth of the density of states makes the canonical partition function singular at the Hagedorn temperature, while in the…
Relaxed atomic geometries and chemisorption energies have been calculated for the dissociative adsorption of molecular hydrogen on vicinal Si(001) surfaces. We employ density-functional theory, together with a pseudopotential for Si, and…
Precise solutions of the Hartree-Fock equations for the ground state of the hydrogen molecule are obtained for a wide range of internuclear distances R by means of a two-dimensional fully numerical mesh computational method. The spatial…
Hydrogen-bond networks govern molecular structure and function across chemistry, biology and materials science, yet their deterministic control at the atomic scale remains a central challenge (1-9).Here, we directly visualize how an…
A green transition in aviation requires a drastic upscaling of Sustainable Aviation Fuel (SAF). The power-to-liquid process for the production of CO2-neutral jet fuel via electricity, called e-SAF, directly replaces fossil jet fuel without…
In this article, we study the hydrodynamic limit for a stochastic interacting particle system whose dynamics consists in a superposition of several dynamics: the exclusion rule, that dictates that no more than a particle per site with a…
With increasing energy the diamagnetic hydrogen atom undergoes a transition from regular to chaotic classical dynamics, and the closed orbits pass through various cascades of bifurcations. Closed orbit theory allows for the semiclassical…
We study the symmetric Dyson exclusion process (SDEP) - a lattice gas with exclusion and long-range, Coulomb-type interactions that emerge both as the maximal-activity limit of the symmetric exclusion process and as a discrete version of…
We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by…
Among silicon-based solar cells, heterojunction cells hold the world efficiency record. However, their market acceptance is hindered by an initial 0.5\% per year degradation of their open circuit voltage which doubles the overall cell…
Electrocatalysis is a catalytic process where the rate of an electrochemical reaction occurring at the electrode-electrolyte interface can be controlled by varying the electrical potential. Electrocatalysis can be applied to generate…
In this letter, we present non-degenerate ultrafast optical pump-probe studies of the carrier recombination dynamics in MoS$_{2}$ monolayers. By tuning the probe to wavelengths much longer than the exciton line, we make the probe…
Recent studies have confirmed the coupling of optical vortices, such as Laguerre-Gaussian and Bessel-Gaussian modes, to quadrupole-active atomic transitions. This interaction has been shown to be enhanced considerably in the case of…
The proportionality between single charge-exchange reaction cross sections in the forward direction as found, for example from $(p,n)$ and $(^3$He,$t)$ and from $(n,p)$ and $(d,^2$He) reactions, and the Gamow-Teller (GT) strength into the…