Projeto de interação com o usuário para o pacote Quantum ESPRESSO.

Abstract

The discovery of a superconductor material at ambient conditions could revolutionize all applications in electricity. A crucial step in this search is the ab initio simulations, which allows the study of properties of existing or theoretically predicted materials. However, the simulation environments available in this area are extremely difficult to use, which delays research and discourages its use by researchers. This work describes an interaction design to make the simulations of superconducting materials’ properties more efficient and easier to learn. It’s also explained the computational calculus of superconductivity critical temperature, as well as the Interaction Design concept, principles and process. A usability analysis is carried out in the context of scientific research and, finally, the proposed solution is evaluated according to this perspective.