Related papers: NTMpy: An open source package for solving coupled …
The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…
Nanoparticle (NP) are promising agents to absorb external energy excitation and generate heat. Cluster of NPs or NP array heating have found essential roles for biomedical applications, diagnostic techniques and chemical catalysis. Various…
Nowadays the analysis of dynamics of and on networks represents a hot topic in the Social Network Analysis playground. To support students, teachers, developers and researchers in this work we introduce a novel framework, namely NDlib, an…
The enthalpy method for the thermodynamics of polythermal glaciers and ice sheets is tested and verified by a one-dimensional problem (parallel-sided slab). The enthalpy method alone does not include explicitly the transition conditions at…
We use molecular dynamics simulations to study the dynamics of an ensemble of interacting self-propelled semi-flexible polymers in contact with a thermal bath. Our intention is to model complex systems of biological interest. We find that…
Entangled two-photon absorption spectroscopy (TPA) has been widely recognized as a powerful tool for revealing relevant information about the structure of complex molecular systems. However, to date, the experimental implementation of this…
This paper presents the philosophy, design and feature-set of Neural Network Distiller, an open-source Python package for DNN compression research. Distiller is a library of DNN compression algorithms implementations, with tools, tutorials…
In this article, we present Gammapy, an open-source Python package for the analysis of astronomical $\gamma$-ray data, and illustrate the functionalities of its first long-term-support release, version 1.0. Built on the modern Python…
The ignition delay of a fuel/air mixture is an important quantity in designing combustion devices, and these data are also used to validate chemical kinetic models for combustion. One of the typical experimental devices used to measure the…
We study and predict the interfacial tension, solubility parameters and Flory-Huggins parameters of binary mixtures as functions of pressure and temperature, using multiscale numerical simulation. A mesoscopic approach is proposed for…
We discuss the design of an optical system that allows measurement of 600 nm to 1650 nm emission spectra for individual nanoparticles (NPs), laser heated in an electrodynamic trap in controlled atmospheres. An approach to calibration of…
Tools for computing detailed optically thick spectral line profiles out of local thermodynamic equilibrium have always been focused on speed, due to the large computational effort involved. With the Lightweaver framework, we have produced a…
The paper describes a method for measuring the thermal diffusivity of materials having a high thermal conductivity. The apparatus is rather simple and low-cost, being therefore suitable in a laboratory for undergraduate students of…
The thermal and mechanical behaviors of powders are important for various additive manufacturing technologies. For powder bed fusion, capturing the temperature profile and the packing structure of the powders prior to melting is challenging…
In this work, we obtain the numerical temperature field to a thermally developing fluid flow inside parallel plates problem with a quantum computing method. The physical problem deals with the heat transfer of a steady state,…
Tensor product state (TPS) based methods are powerful tools to efficiently simulate quantum many-body systems in and out of equilibrium. In particular, the one-dimensional matrix-product (MPS) formalism is by now an established tool in…
Multiphysics processes in fractured porous media is a research field of importance for several subsurface applications and has received considerable attention over the last decade. The dynamics are characterised by strong couplings between…
PySDM is an open-source Python package for simulating the dynamics of particles undergoing condensational and collisional growth, interacting with a fluid flow and subject to chemical composition changes. It is intended to serve as a…
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…
We present OpenMM-Python-Force, a plugin designed to extend OpenMM's functionality by enabling integration of energy and force calculations from external Python programs via a callback mechanism. During molecular dynamics simulations, data…