Related papers: Moment-Tensor-Based Constant-Potential Modeling of…
We carry out a feasibility study toward a lattice QCD calculation of the neutron electric dipole moment (NEDM) in the presence of the $\theta$ term using two different approaches. In the first method, we calculate the CP-odd electromagnetic…
Dynamical properties are studied numerically for a variant of the Kondo model with singlet and triplet crystalline electric field (CEF) levels where Kondo and CEF singlets compete for the ground state. Using the continuous-time quantum…
Parity and time-reversal violating electric dipole moment (EDM) of $^{171}$Yb is calculated accounting for the electron correlation effects over the Dirac-Hartree-Fock (DHF) method in the relativistic Rayleigh-Schr\"odinger many-body…
Battery electrode surfaces are generally coated with electronically insulating solid films of thickness 1-50 nm. Both electrons and Li+ can move at the electrode-surface film interface in response to the voltage, which adds complexity to…
A continuum electromechanical model is proposed to describe the membrane curvature induced by electrostatic interactions in a solvated protein-membrane system. The model couples the macroscopic strain energy of membrane and the…
Understanding the electron dynamics and transport in metallic and semiconductor nanostructures -- such as metallic nanoparticles, thin films, quantum wells and quantum dots -- represents a considerable challenge for today's condensed matter…
We design and develop a new Particle-in-Cell (PIC) method for plasma simulations using Deep-Learning (DL) to calculate the electric field from the electron phase space. We train a Multilayer Perceptron (MLP) and a Convolutional Neural…
Machine learning interatomic potentials (MLIPs) offer near-ab initio accuracy with the efficiency of classical force fields, making them attractive for modeling electrolytes. Collecting a diverse training set is essential for their accuracy…
Coulometric measurements on salt-water-immersed nanoporous carbon electrodes reveal, at a fixed voltage, a charge decrease with increasing temperature. During far-out-of-equilibrium charging of these electrodes, calorimetry indicates the…
We perform calculations of the CP-violating atomic and molecular electric dipole moments (EDM) induced by the interaction of the nuclear Schiff moments with electrons. EDM of atoms Eu, Dy, Gd, Ac, Th, Pa, U, Np and Pu are of special…
In electrochemical systems, the structure of electrical double layers (EDLs) near electrode surfaces is crucial for energy conversion and storage functions. While the electrodes in real-world systems are usually heterogeneous, to date the…
We present results from a fully kinetic particle-in-cell (PIC) simulation of direct current magnetron sputtering (dcMS) in a 2D cylindrically symmetric geometry. The particle-in-cell model assumes an electrostatic approximation and includes…
Using the example of a proton adsorption process, we analyze and compare two prominent modelling approaches in computational electrochemistry at metallic electrodes - electronically canonical, constant-charge and electronically…
We examine the lepton dipole moments in an extension of the Standard Model (SM), which contains vector-like leptons that couple only to the second-generation SM leptons. The model naturally leads to sizable contributions to the muon $g-2$…
The electric double layer (EDL) has a pivotal role in screening charges on surfaces as in supercapacitor electrodes or colloidal and polymer solutions. Its structure is determined by correlations between the finite-sized ionic charge…
The prospect of laser cooling of polyatomic molecules has opened a new avenue in the search for the electric dipole moment of the electron (eEDM). An upper bound on the eEDM would probe new physics arising from beyond the Standard Model of…
We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the…
The symmetry studies of Maxwell equations gave new insight on the nature of electromagnetic (EM) field. It has in general case quaternion single structure, consisting of four independent field constituents, which differ with each other by…
A Cs fountain electron electric dipole moment (EDM) experiment using electric-field quantization is demonstrated. With magnetic fields reduced to 200 pT or less, the electric field lifts the degeneracy between hyperfine levels of…
Molecular wires (MW) are the fundamental building blocks for molecular electronic devices. They consist of a molecular unit connected to two continuum reservoirs of electrons (usually metallic leads). We rely on Landauer theory as the basis…