CP2K

Quantum ESPRESSO is a free, open-source software package for electronic structure calculations and m (more)aterials modeling, based on density functional theory (DFT). It is a powerful tool for predicting the properties of materials and molecules using first-principles calculations, which are based on the fundamental laws of quantum mechanics. Quantum ESPRESSO includes a suite of programs for performing calculations on periodic systems, such as crystals and molecules, as well as on isolated systems, such as atoms and clusters. It can be used to predict a wide range of properties, including electronic structure, phonon dispersion, and optical spectra. Quantum ESPRESSO is widely used in the fields of physics, chemistry, and materials science, and it is distributed under the GNU General Public License (GPL). It is available for a variety of platforms, including Windows, macOS, and Linux, and it can be downloaded from the Quantum ESPRESSO website. Operating system: Linux macOS License: GNU General Public License

Actran is a software tool that is used for simulating and analyzing the acoustics of mechanical syst (more)ems. It is a powerful and flexible tool that is widely used in a variety of industries and applications, including automotive, aerospace, and industrial equipment. Actran is designed to allow users to quickly and easily model and analyze the acoustics of mechanical systems. It includes a range of features for modeling and simulation, including tools for importing and manipulating data, a graphical user interface for building and configuring models, and tools for analyzing and visualizing simulation results. Actran is a valuable tool for engineers, researchers, and other professionals who work with acoustics and mechanical systems. It is used by a wide range of organizations, including universities, research institutions, and industrial companies, and it is often used in conjunction with other engineering and simulation tools. Operating system: Cross-platform License: Proprietary EULA

Operating system: Linux, OS X License: GNU General Public License, version 3.0

Operating system: Linuxi, Windows License: slightly modified MIT licence

Ascalaph Designer is a software tool for modeling and simulation of chemical systems. It is develope (more)d by the software company Ascalaph and is used in a variety of applications, including chemistry, biology, and pharmaceutical research. Ascalaph Designer includes a range of features for creating and analyzing models, including tools for building graphical models, running simulations, and analyzing results. It is used to study the behavior of chemical systems, such as reactions, transport processes, and thermodynamics. Ascalaph Designer is available for Windows, macOS, and Linux operating systems. It is often used in conjunction with other software tools, such as molecular modeling software and data analysis software. Operating system: Windows License: GNU GPL and others including Code Project Open License

Operating system: Linux, Microsoft Windows, UNIX, Mac OS X License: GNU GPL v3

Operating system: Linux, Windows, macOS, OS X License: MIT License