TomoPy

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

FHI-aims (Fritz Haber Institute ab initio molecular simulations) is a software tool for performing q (more)uantum mechanical calculations and simulations of materials and molecules. It is developed by the software company Fritz Haber Institute (FHI) and is used in a variety of applications, including chemistry, physics, and materials science. FHI-aims includes a range of features for calculating and analyzing the properties of materials and molecules, such as tools for predicting the electronic structure, bonding, and reactivity of systems. It is used to study the physical and chemical properties of materials and to design new materials and molecules. FHI-aims 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: Linux License: Academic / Commercial

Operating system: Microsoft Windows, macOS, Linux License: MIT License

CASTEP (abbreviation for Cambridge Serial Total Energy Package) is a computer program for performing (more) density functional theory (DFT) calculations on the electronic structure and properties of materials. It is a powerful tool for predicting the properties of a wide range of materials, including crystals, surfaces, and molecules, using first-principles calculations based on the fundamental laws of quantum mechanics. CASTEP is widely used in the fields of physics, chemistry, and materials science, and it is particularly useful for predicting the electronic and optical properties of materials, as well as for studying the structure and stability of different phases of matter. It is available for a variety of platforms, including Windows, Linux, and macOS, and it can be downloaded from the CASTEP website. In addition to performing calculations on the electronic structure of materials, CASTEP can also be used to predict the vibrational and thermal properties of materials, and to study the dynamics of processes such as phase transitions and chemical reactions. Operating system: Linux, MacOS, Windows License: Academic (worldwide) / Commercial

GoldSim is a software tool for modeling and simulation of complex systems. It is developed by the so (more)ftware company GoldSim Technology Group and is used in a variety of applications, including environmental modeling, business modeling, and engineering. GoldSim 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 environmental systems, economic systems, and engineering systems. GoldSim is available for Windows operating systems. It is often used in conjunction with other software tools, such as spreadsheet software and data visualization software. Operating system: Microsoft Windows License: Proprietary

FlexSim is a software tool for modeling and simulation of complex systems. It is developed by the so (more)ftware company FlexSim Software Products and is used in a variety of applications, including manufacturing, logistics, and healthcare. FlexSim 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 supply chains, transportation networks, and healthcare systems. FlexSim is available for Windows operating systems. It is often used in conjunction with other software tools, such as spreadsheet software and data visualization software. Operating system: Microsoft Windows License: Proprietary