Physical, Theoretical & Computational

Computational Modeling of Magnetic Materials and Magnetic Properties (#423)

The response of molecules and nanomaterials to magnetic fields is of key importance for their characterization and the development of future technologies. Electronic structure methods based on ab-initio, density functional, or semi-empirical approaches provide a powerful tool to understand the complex mechanisms that lead to magnetic interactions and help to interpret experimental data. For example, the magnetic anisotropy energy and magnetic exchange couplings govern the magnetic susceptibility behavior, while chemical shieldings and nuclear spin-spin couplings determine the NMR spectrum. This symposium brings together theoretical chemists and physicists to share their recent progress in molecular magnetism with focus on the calculation of properties that involve spin and orbital interactions and relativistic effects. The symposium will include recent advances in methodology development as well as a wide range of applications emphasizing the connection with experiments.

Confirmed invited speakers: Marco Affronte (Universita di Modena), Jochen Autschbach (UNY at Buffalo), Vincenzo Barone (Scuola Normale Superiore), George Christou (U of Florida), Liviu Chibotaru (Universiteit Leuven), Trygve Helgaker (U of Oslo), Xiaosong Li (U of Washington), Vladimiro Mujica (Arizona State U), Mark Pederson (US Department of Energy), Aldo Romero (West Virginia U), Sandeep Sharma (Princeton).
Last update: Dec 28, 2015