Theoretical and computational studies of semiconductor materials with photocatalyt...
Machine learning for Materials Science: 2D materials discovery and design
Formation of metallic nanoalloys by electron and laser irradiation: combining theo...
Ag/Cu bimetallic nanoalloys: from morphological characterization to antimicrobial ...
Structural and electronic properties of molecular and bi-dimensional systems
Computer simulation of the interaction between the antibiotic linezolid and the ac...
Ab initio study of the effects of ligands on the atomic structure, electronic stab...