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Computational Quantum Mechanics
OVERVIEW
We perform a basic study of CQP codes based in time-dependent density-functional theory (TDDFT) and Many-Body Techniques for reach the total energy, charge density and electronic structure of quantum systems(molecules and clusters, wires and tubes, surfaces and periodic solids).
Besides a Quantum Mechanics module is implemented in Alya which solves the Schrödinger equation in real space using MEF techniques.
BSC takes part in the European Theoretical Spectroscopy Facility I3 project which main interest is to guarantee the access to the knowledge in theoretical spectroscopy from the public and private sector. To make this, the project generates standards, codes and a net of scientific working together to develop new theory, software and training to new students in the topics.
People
Alejandro Soba (contact person)
Miquel Catalá
Alejandro Bea
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