Quantum ESPRESSO

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

Operating system: Windows XP SP3, Windows Vista, Windows 7OS X 10.5, OS X 10.6, OS X 10.7RHEL 5.5 Li (more)cense: Trialware

GPOPS-II (General Purpose Optimization Software II) is a software tool for solving optimization prob (more)lems, particularly problems involving the optimization of dynamic systems. It is developed by the software company GPOPS and is used in a variety of applications, including engineering, science, and education. GPOPS-II includes a range of features for solving optimization problems, such as tools for defining optimization objectives and constraints, solving problems using various optimization algorithms, and analyzing results. It is used to study the behavior of dynamic systems and to optimize the performance of systems under various conditions. GPOPS-II is available for Windows, macOS, and Linux operating systems. It is often used in conjunction with other software tools, such as data analysis software and visualization software. Operating system: Mac OS X, Linux, Windows License: Proprietary, Free-of-charge for K - 12 or classroom use. Licensing fees apply for all academic, not-for profit, and commercial use (outside of classroom use)

SAAM II (Systems Analysis and Modeling) is a software tool for modeling and simulation of complex sy (more)stems. It is developed by the software company SimBios and is used in a variety of applications, including engineering, science, and education. SAAM II 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 complex systems, such as mechanical systems, electrical systems, and chemical systems. SAAM II is available for Windows operating systems. It is often used in conjunction with other software tools, such as Matlab, a technical computing software package developed by MathWorks. Operating system: Windows, macOS License: Proprietary commercial software

Operating system: Microsoft Windows License: Proprietary Freeware

Operating system: Linux, Darwin, SunOS License: BSD 3-Clause