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Quantum ESPRESSO is a free, open-source software package for electronic structure calculations and materials 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
QuestPair is a platform to find and acquire laboratory equipment by connecting research organisations, universities, and companies with high-quality, affordable instruments. The platform facilitates multiple sales daily worldwide and works with partners around the globe to provide trusted, vetted products for a wide variety of scientific needs. Our in-house developed AI algorithms collect data on the usage and availability of scientific instruments, enabling us to provide tailor-made assistance in sourcing suitable laboratory equipment. With a focus on cost-effectiveness and sustainability, QuestPair has an excellent track record in streamlining acquisitions for laboratories to further scientific research and development.
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