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Ferroelectricity in atomically thin bilayer structures has been recently predicted1 and measured[2-4] in two-dimensional (2D) materials with hexagonal non-centrosymmetric unit-cells. Interestingly, the crystal symmetry translates lateral…
Intracellular recordings of cortical neurons in vivo display intense subthreshold membrane potential (Vm) activity. The power spectral density (PSD) of the Vm displays a power-law structure at high frequencies (>50 Hz) with a slope of about…
The electrophoretic behaviour of flexible polyelectrolyte chains ranging from single monomers up to long fragments of hundred repeat units is studied by a mesoscopic simulation approach. Abstracting from the atomistic details of the…
Computational prediction of protein structures is a difficult task, which involves fast and accurate evaluation of candidate model structures. We propose to enhance single model quality assessment with a functionality evaluation phase for…
This note outlines the exact solution to the power flow problem in AC electrical networks under the assumption of 'flat' or uniform voltage profiles. This solution generalises the common 'DC power flow' approach to electrical network…
We study ionic liquids interacting with electrified interfaces. The ionic fluid is modeled as a Coulomb lattice gas. We compare the ionic density profiles calculated using a popular modified Poisson-Boltzmann equation with the explicit…
Chemical potential is an effective way to drive phase transition or express wettability. In this letter, we present a chemical-potential-based lattice Boltzmann model to simulate multiphase flows. The nonideal force is directly evaluated by…
Neural network models are known to reinforce hidden data biases, making them unreliable and difficult to interpret. We seek to build models that `know what they do not know' by introducing inductive biases in the function space. We show…
We analyze the optical pump-probe reflection and transmission coefficients when the photoinduced response depends nonlinearly on the incident pump intensity. Under these conditions, we expect the photoconductivity depth profile to change…
It is a common assumption that the activation of different layers in neural networks follow Gaussian distribution. This distribution can be transformed using normalization techniques, such as batch-normalization, increasing convergence…
Multiconfiguration expansions frequently target valence correlation and correlation between valence electrons and the outermost core electrons. Correlation within the core is often neglected. A large orbital basis is needed to saturate both…
A coarse-grained version of the Lattice Boltzmann (LB) method is developed with the intent of enhancing its geometrical flexibility so as to be able to tackle a wider class of flows of engineering interest. To this purpose, the original…
We present polarisation profiles for 48 southern pulsars observed with the new 10-cm receiver at the Parkes telescope. We have exploited the low system temperature and high bandwidth of the receiver to obtain profiles which have good signal…
We introduce a direct Boltzmann inversion method to infer the interaction potential in particle systems using as input particle configurations generated at an arbitrary state point of the system. Unlike iterative Boltzmann inversion, the…
An approach based on a lattice version of the Boltzmann kinetic equation for describing multi-phase flows in nano- and micro-corrugated devices is proposed. We specialize it to describe the wetting/dewetting transition of fluids in presence…
The observed polarization of radio pulsars involves several peculiar effects, such as comparable amount of orthogonal polarization modes (OPMs) which often bear the same handedness of circular polarisation V. In the average profiles of…
We map molecular dynamics simulations of fluid-fluid interfaces onto mesoscale continuum theories for partially miscible fluids. Unlike most previous work, we examine not only the interface order parameter and density profiles, but also the…
Motivated by the fact that full diversity order is achieved using the "best-relay" selection technique, we consider opportunistic amplify-and-forward and decode-and-forward relaying systems. We focus on the outage probability of such a…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved…
Methodologies for training machine learning potentials (MLPs) to quantum-mechanical simulation data have recently seen tremendous progress. Experimental data has a very different character than simulated data, and most MLP training…