Our Team
Principal Investigator
Ángel Martín Pendás
Principal Investigator
Quantum Chemical Topology, Interacting Quantum Atoms (IQA), Real-space descriptors of chemical bonding, Electron correlation and non-covalent interactions
Researchers
Aurora Costales Castro
Associate Professor
Quantum Chemical Topology, Chemical bonding in solids and clusters, Electron density analysis
Natalia Díaz Fernández
Associate Professor
Quantum Chemical Topology, Electron correlation, Non-covalent interactions
Evelio Francisco Miguélez
Associate Professor
Quantum Chemical Topology, IQA energy partitioning, Electron correlation descriptors, Non-covalent interactions
Dimas Suárez Rodríguez
Associate Professor
Computational biochemistry, Enzymatic catalysis, Quantum Monte Carlo, Topological analysis of biomolecules
PhD Students
Daniel Barrena Espés
PhD Student
Machine learning potentials, IQA energy decomposition, Artificial neural networks in chemistry
Diogo José Lopes Rodrigues
PhD Student
Quantum Monte Carlo, Electron correlation, Quantum Chemical Topology
Alumni
María Menéndez Herrero
Former PhD Student
Excited-state chemistry, Topological descriptors, Photochemistry