Related papers: PyCharge: An open-source Python package for self-c…
We present a multitask machine learning strategy for improving the prediction of molecular dipole moments by simultaneously training on quantum dipole magnitudes and inexpensive Mulliken atomic charges. With dipole magnitudes as the primary…
The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…
Scientific foundation models hold great promise for advancing nuclear and particle physics by improving analysis precision and accelerating discovery. Yet, progress in this field is often limited by the lack of openly available large scale…
A parallel plate capacitor containing an electrolytic solution is the simplest model of a supercapacitor, or electric double layer capacitor. Using both analytical and numerical techniques, we solve the Poisson-Nernst-Planck equations for…
We present $\texttt{PyBird-JAX}$, a differentiable, $\texttt{JAX}$-based implementation of $\texttt{PyBird}$, using internal neural network emulators to accelerate computationally costly operations for rapid large-scale structure (LSS)…
Generation of electromagnetic fields by moving charges is a fascinating topic where the tight connection between classical electrodynamics and special relativity becomes particularly apparent. One can gain direct insight into the…
The charge of a polyelectrolyte (PE) controls myriads of phenomena in biology, biotechnology, and materials science, but still remains elusive from an understanding. Considering the adsorption of counterions on an isolated PE chain, an…
In this paper, a recently developed numerical technique [{\em Tuncer E and Guba{\'n}ski S M, IEEE Trans Diel El Insul {\bf 8}(3)(2001) 310-320}] is applied to poly(propylene glycol) complex dielectric data to extract more information about…
We present a theory that enables us to calculate the effective surface charge of colloidal particles and to efficiently obtain titration curves for different salt concentrations. The theory accounts for the shift of pH of solution due to…
We study the dynamics of hard-core bosons on ladders, in the presence of strong kinetic constrains akin to those of the Bariev model. We use a combination of analytical methods and numerical simulations to establish the phase diagram of the…
We investigate higher-order asymptotic symmetries for a $p$-form gauge field in $(p + 2)$-dimensional Minkowski spacetime, where Hodge duality with a scalar holds. Employing symplectic renormalization, we identify $N + 1$ independent…
We discuss some elementary examples of interactions (at low velocity) between point charges and magnetic dipoles using potentials, along the lines indicated by Konopinsky, and show that the physical interpretation might look quite different…
pyforce is a Python package implementing Data-Driven Reduced Order Modelling techniques for applications to multi-physics problems, mainly set in the Nuclear Engineering world. The package is part of the ROSE (Reduced Order modelling with…
We present the pyerrors python package for statistical error analysis of Monte Carlo data. Linear error propagation using automatic differentiation in an object oriented framework is combined with the $\Gamma$-method for a reliable…
Triboelectric charging strongly affects the operation cycle and handling of materials and can be used to harvest mechanical energy through triboelectric nanogenerator set-up. Despite ubiquity of triboelectric effects, a lot of mechanisms…
Polarons, which arise from the self-trapping interaction between electrons and lattice distortions in a solid, have been known and extensively investigated for nearly a century. Nevertheless, the study of polarons continues to be an active…
We present a Monte Carlo generator for exclusive vector meson production in charged lepton-proton interactions, l+p --> l+p+V, based on a QCD leading logarithm model calculation according to which the cross section for this process is…
Significant progress has been made recently in the automation and standardization of ab initio point defect calculations. However, the task of developing, implementing, and benchmarking charge corrections for density functional theory (DFT)…
We present PyRPL, an open source software package that allows the implementation of automatic digital feedback controllers for quantum optics experiments on commercially available, affordable FPGA boards. Our software implements the digital…
The particles of electrorheological fluids can be modelled as dielectric spheres (DS) immersed in a continuum dielectric. When an external field is applied, polarization charges are induced on the surfaces of the spheres and can be…