Ab-initio study of catalytic activity of bi-dimensional Tungstein Dhicalcogenides ...
Computational design of lead-free two-dimensional perovskites with chiral spacer m...
Machine learning for Materials Science: 2D materials discovery and design
Investigation of the electronic properties of the materials MQx (m = Cu, Ag, q = s...
Exploring Quantum Defects in Hexagonal Boron Nitride: A DFT+DMRG Approach.
Magnetism and Two-Dimensional Structures: Investigating Phthalocyanine Organometal...