View Video Presentation: https://doi. org/10.2514/6.2023-3490. vid This work presents plato
(PLAsmas in Thermodynamic nOn-equilibrium), a high-fidelity library for the …

Efficiently solving nonlinear equations underpins numerous scientific and engineering
disciplines, yet scaling these solutions for complex system models remains a challenge. This …

Abstract Model-based optimal experimental design (OED) is a well known tool for efficient
model development. However, it is not used very often. A few reasons for that are: a lack of …

Microkinetic modeling is invaluable for coupling “microscale” atomistic data with
“macroscale” reactor observables. We introduce an Open-source M icro k inetic M odeling …

PeleLMeX simulates chemically reacting low Mach number flows with block-structured
adaptive mesh refinement (AMR). The code is built upon the AMReX library, which provides …

The software for chemical interaction networks (SCINE) project aims at pushing the frontier
of quantum chemical calculations on molecular structures to a new level. While calculations …

An extended microkinetic model (MKM) for the selective oxidation of ethylene to ethylene
oxide (EO) is presented, based on an oxidic representation of the silver (Ag) surface …

We investigate the renormalization group (RG)-time integration of the effective potential in
the functional renormalization group in the presence of spontaneous symmetry breaking and …

Electrochemical models provide insights into the battery internal states and have become
powerful tools for battery design and management. These models consist of partial …

A conceptual mathematical model was developed to describe the migration of aggregating
nanoparticles in water saturated, homogeneous porous media with one‐dimensional …