Theoretical and computational studies of semiconductor materials with photocatalyt...
Structural and electronic properties of molecular and bi-dimensional systems
Machine learning for Materials Science: 2D materials discovery and design
Formation of metallic nanoalloys by electron and laser irradiation: combining theo...
Surface functionalization on the carbide and nitride Mxenes for hydrogen storage
Self-assemble peptide nano-structures: structure, energy and electronic properties
Study of the interaction between drugs and human serum albumin (HSA) based on comp...