By performing it on a single graphical interface, calculations can be done efficiently!
This document introduces the Quantum ESPRESSO Interface handled by Schrodinger's "Materials Science Suite."
Through an official partnership, integration between the molecular simulation environment "Maestro" and "Quantum ESPRESSO" has been realized.
By performing advanced quantum simulations from crystal structure creation to execution and analysis on a single graphical interface, efficient computational work is possible.
Furthermore, calculations using the Effective Screening Medium method allow for the electronic state calculations of various surface-solvent systems, including electrode surface reactions.
[Contents]
■ Nanotechnology and Computational Science
■ About Quantum ESPRESSO
■ Main Features of the Quantum ESPRESSO Interface
■ Maestro and Python API
■ Effective Screening Medium Method (ESM Method)
*For more details, please refer to the PDF document or feel free to contact us.