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OpenFMO framework, an open-source software (OSS) platform for Fragment Molecular Orbital (FMO) method, is extended to multi-physics simulations (MPS). After reviewing the several FMO implementations on distributed computer environments, the…

Our work is motivated by the analysis of ash plume dynamics, arising in the study of volcanic eruptions. Such phenomena are characterized by large Reynolds number (exceeding $10^7$) and a large number of polydispersed particles~[1]. Thus,…

Renewable energy sources such as wind and solar have received much attention in recent years and large amount of renewable generation is being integrated to the electricity networks. A fundamental challenge in power system operation is to…

We present a 5-phase equation of state (EOS) for elemental carbon. The phases considered are: diamond, BC8, simple-cubic, simple-hexagonal, and the liquid/plasma state. The solid phase free energies are constrained by density functional…

This paper presents a new multiphase flow code, cast under an open-source GNU license. The main characteristics of the different flow models are given, then the numerical method used is briefly presented: it includes temporal flow solvers,…

In this paper we present FASE (Fast Asynchronous Systems Evaluation), a tool for evaluating worst-case efficiency of asynchronous systems. This tool implements some well-established results in the setting of a timed CCS-like process…

Estimating probability of failure in aerospace systems is a critical requirement for flight certification and qualification. Failure probability estimation involves resolving tails of probability distribution, and Monte Carlo sampling…

This paper focuses on the Partitioned-Solution Approach (PSA) employed for the Time-Domain Simulation (TDS) of dynamic power system models. In PSA, differential equations are solved at each step of the TDS for state variables, whereas…

In this paper we describe RooFitUnfold, an extension of the RooFit statistical software package to treat unfolding problems, and which includes most of the unfolding methods that commonly used in particle physics. The package provides a…

OpenSesame is a program for generating tabular equations of state (EOS), with capabilities for multiphase EOS construction. In this tutorial, we provide an overview of how to run OpenSesame to construct a multiphase EOS. We discuss some…

In this article, a multiple split method is proposed that enables construction of multidimensional probabilistic forecasts of a selected set of variables. The method uses repeated resampling to estimate uncertainty of simultaneous…

Challenges in the planning and operation of distribution networks caused by the integration of distributed energy resources (DERs) create the need for the development of tools that can be easily used by system operators, industry, and the…

The width of the distribution of species in a polydisperse system is employed in a small-variable expansion, to obtain a well-controlled and compact scheme by which to calculate phase equilibria in multi-phase systems. General and universal…

In this paper, for the first time we propose two linear, decoupled, energy-stable numerical schemes for multi-component two-phase compressible flow with a realistic equation of state (e.g. Peng-Robinson equation of state). The methods are…

We present a tool for batch generation of input scripts and multi-type Fourier analysis from simulation results for the micromagnetic software MuMax3. The introduction of graphical user interface and parameter-sweeping functionality…

Phase diagrams (PDs) illustrate the relative stability of competing phases under varying conditions, serving as critical tools for synthesizing complex materials. Reliable phase diagrams rely on precise free energy calculations, which are…

The analytical formulae for the phase space factors and the three-momenta of three- and four-body final states are derived for all sets of independent kinematic variables containing invariant mass variables. These formulae will help…

We propose a two steps fringe analysis method assuming random phase step and changes in the illumination conditions. Our method constructs on a Gabor Filter--Bank (GFB) that independently estimates the phase from the fringe patterns and…

This paper presents a distributed simulation based method for harmonic resonance assessment (HRA) in multi-area large-scale power systems. Further consideration is devoted to the early harmonic frequency-scan formulation to shape them into…

We perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasi-harmonic approximation over a range of…