The Advantages of Quantum ESPRESSO |  |
Quantum ESPRESSO, developed by Quantum ESPRESSO Foundation, is the leading high-performance, open-source quantum mechanical software package for nanoscale modeling of materials.1 Quantum ESPRESSO implements plane wave density-functional theory in conjunction with periodic boundary conditions and pseudopotentials. Schrödinger's Materials Science Suite provides a comprehensive graphical user interface to Quantum ESPRESSO for calculation set-up, job control and results analysis, making the simulation of crystalline materials and surfaces accessible to both experts and non-experts alike.2
Learn more about how Schrödinger and Quantum ESPRESSO Foundation are working together here.
To continue reading click on the following link:
https://www.schrodinger.com/products/quantum-espresso
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