Related papers: PyCharge: An open-source Python package for self-c…
The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem…
Understanding the behavior of charged complex fluids is crucial for a plethora of important industrial, technological, and medical applications. Using coarse-grained molecular dynamics simulations, here we investigate the properties of a…
A problem of self-energy and self-force for a charged point-like particle in a higher dimensional homogeneous gravitational field is considered. We study two cases, when a particle has usual electric charge and a case when it has a scalar…
We describe in detail the method for Particle-in cell/Monte-Carlo simulation of electron cyclotron resonance (ECR) discharges. In the simulation, electric and magnetic fields are obtained by solving Maxwell equations, and electrons and ions…
We determine the full structure of the leading (double-pole) divergences of O(p^6) in the meson sector of chiral perturbation theory. The field theoretic basis for this calculation is described. We then use an extension of this result to…
The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each $k$-point in the Brillouin zone and band in an electronic structure calculation.…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
Trapped ions are among the most advanced platforms for quantum simulation and computation. Their capabilities can be further augmented by making use of electronically highly excited Rydberg states, which enable the realization of…
This paper introduces PyMatching, a fast open-source Python package for decoding quantum error-correcting codes with the minimum-weight perfect matching (MWPM) algorithm. PyMatching includes the standard MWPM decoder as well as a variant,…
DL_MONTE is an open source, general-purpose software package for performing Monte Carlo simulations. It includes a wide variety of force fields and MC techniques, and thus is applicable to a broad range of problems in molecular simulation.…
This paper presents the design, implementation, and evaluation of the PyTorch distributed data parallel module. PyTorch is a widely-adopted scientific computing package used in deep learning research and applications. Recent advances in…
Ptychography has become an indispensable tool for high-resolution, non-destructive imaging using coherent light sources. The processing of ptychographic data critically depends on robust, efficient, and flexible computational reconstruction…
GMP-Featurizer is a lightweight, accurate, efficient, and scalable software package for calculating the Gaussian Multipole (GMP) features \cite{GMP} for a variety of atomic systems with elements across the periodic table. Starting from the…
PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…
We present a nonlocal statistical field theory of a diluted solution of dipolar particles which are capable of forming chain-like clusters in accordance with the 'head-to-tail' mechanism. As in our previous study [Yu.A. Budkov 2018 J.…
Despite the prevalence of symmetry in scientific linear systems, these structural properties are often underutilized by standard computational software. This paper introduces PySymmetry, an open-source Sage/Python framework that implements…
In order to reveal the relaxation mechanism of photogenerated charge-transfer excitations in quasi-one-dimensional halogen-bridged diplatinum complexes, we calculate the low-lying adiabatic potential energy surfaces of a one-dimensional…
Recently, we have discussed the coexistence of a finite energy one-half monopole and a 't Hooft-Polyakov monopole of opposite magnetic charges. In this paper, we would like to introduce electric charge into this new monopoles configuration,…
Constitutive modeling of dielectric elastomers has been of long standing interest in mechanics. Over the last two decades rigorous constitutive models have been developed that couple the electrical response of these polymers with large…
We present an one-dimensional particle-in-cell Monte-Carlo model for capacitively coupled radio-frequency discharges in oxygen. The model quantitatively describes the central part of the discharge. For a given voltage and pressure, it…