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Teaching and Education

The Computational Biomolecular & Mesoscopic Physics Group  is actively involved in teaching and course development. One main output has been the implementation of the course "Computational Biomolecular Physics"  (PHYS 570A) for both, graduate and upper level undergraduate, students. PHYS 570A emphasizes the theoretical foundations and practical applications of computational methodologies including Hartree-Fock theory, density functional theory (DFT) and molecular dynamics. 



News About Our Research:

New Building Blocks for Molecular Spintronics

06-12-2014

Spin-dependent conduction properties have been predicted for a new class of molecular clusters.

The B3LYP-DD Methodology

02-02-2012

Computation of intermolecular interaction energies via Kohn-Sham density functional theory

Geometric Structure and 57Fe Mössbauer Parameters of Antiferromagnetic Reaction Intermediate of MMOH

11-21-2011

Prof. Rodriguez uses methods of computational quantum mechanics to investigate the biochemical function and structure of metal containing enzymes.

Spin-Orbit-Coupling Effects in (Bio)inorganic Complexes Studied with New Algorithm

07-28-2009

Our research group has implemented an accurate computational methodology for predicting the effects of spin-orbit coupling.

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