From virtual to reality: a practical route to design new materials

S.A., J.S., and D.L. acknowledge the Donau Project No.8X20050 and the project e-INFRA CZ (ID 90254) both provided by the Ministry of Education, Youth, and Sports of the Czech Republic; and Project No. 22-35410K of the Czech Science Foundation. A.D. and M.R. acknowledge support by Projects APVV-DS-FR-19-00-45 and VEGA 1/0404/21, and Project TECHNICOM for Innovation Applications Supported by Knowledge Technology- II. phase, ITMS: 313011D232 (EDRF). In addition, J.S. acknowledges support from the Carl Trygger Foundation via Grant CTS20-153. Performing SEM and EDX measurements is partially acknowledged to M. Varga. P.N. acknowledges support by grant MU-23-BG22/00168 funded by TheMinistry of Universities of Spain.