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Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemical effects, especially if those interactions involve many fluctuating electrons over large spatial scales. Here, we identify and study in…
Dynamical charge transfer processes at molecule-metal interfaces proceed in the few fs time scale that renders them highly relevant to electronic excitations in optoelectronic devices. Yet, knowledge thereof is limited when electronic…
We present a novel experiment on interfacial wave dynamics in orbitally shaken cylindrical vessels containing two- and three fluid layers. The experiment was designed as a hydrodynamical model for both alu- minum reduction cells and liquid…
Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic potentials: this restriction reduces the predictive power, and…
Isothermal-isobaric molecular dynamics simulations have been performed to examine a broad set of properties of the model water-1,2-dimethoxyethane (DME) mixture as a function of composition. The SPC-E and TIP4P-Ew water models and the…
We investigate the quantum interference effects in two types of matter-wave mixing experiments: one with initial matter waves prepared in independent Fock states (type I) and the other with each individual particle prepared in a same…
We study the shift of rotational levels of a diatomic polar molecule due to its van der Waals (vdW) interaction with a gently curved dielectric surface at temperature $T$, and submicron separations. The molecule is assumed to be in its…
We present a time-independent quantum formalism to describe the dynamics of molecules with permanent electric dipole moments in a two-dimensional confined geometry such as a one-dimensional optical lattice, in the presence of an electric…
A simple phenomenological model for describing the conformational dynamics of biological macromolecules via the nonlinearity-induced instabilities is proposed. It is shown that the interaction between charges and bending degrees of freedom…
We apply high-throughput DFT calculations and symbolic regression to hybrid inorganic/organic interfaces with the intent to extract physically meaningful correlations between the adsorption-induced work function modifications and the…
We present a variational density matrix approach to the thermal properties of interacting fermions in the continuum. The variational density matrix is parametrized by a permutation equivariant many-body unitary transformation together with…
Both classical and quantum electrodynamics predict the existence of dipole-dipole long-range electrodynamic intermolecular forces; however, these have never been hitherto experimentally observed. The discovery of completely new and…
Shape changes resulting from segmental flexibility are ubiquitous in molecular and biological systems, and are expected to affect both the diffusive motion and (biological) function of dispersed objects. The recent development of colloidal…
How quantum coherence influences thermodynamic behavior remains an open question in quantum thermodynamics. Here we investigate this relation within the pure dephasing framework, where a central qubit interacts with a finite Ising-like spin…
We examine the potential-energy curves and polarization of the dipole moments of two static polar molecules under the influence of an external dc electric field and their anisotropic dipole-dipole interaction. We model the molecules as…
Quantum phase fluctuations play a crucial role in low dimensional systems. In particular they prevent true long range phase order from forming in one dimensional condensates, even at zero temperature. Nevertheless, by dynamically splitting…
We establish that matter-wave interference at near-resonant ultraviolet optical gratings can be used to spatially separate individual conformers of complex molecules. Our calculations show that the conformational purity of the prepared beam…
We report on a study of the dynamics of decoherence of a matter-wave interferometer, consisting of a pair of low-dimensional cold atom condensates at finite temperature. We identify two distinct regimes in the time dependence of the…
The incredible thermo-mechanical properties of biological materials arise from the microscopic scale due to a complex hierarchical mechanism, regulated by microinstabilities at the molecular level. The description of such complex structures…
There has been considerable recent interest in matterwave interferometry with bright solitons in quantum gases with attractive interactions, for applications such as rotation sensing. We model the quantum dynamics of these systems and find…