From: chemistry-request at
To: chemistry-request at
Date: Wed Mar 18 10:33:58 2015
Subject: 15.12.15 Computational Modeling of Magnetic Materials and Magnetic Properties
PACIFICHEM 2015 - Honolulu, Hawaii.

Symposium: Computational Modeling of Magnetic Materials and 
Magnetic Properties (December 15, 2015)

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), George Christou (U of Florida), Liviu Chibotaru (Universiteit Leuven), 
Xiaosong Li  (U of Washington), Vladimiro Mujica (Arizona State U), Mark Pederson 
(US Department of Energy), Aldo Romero (West Virginia U), Sandeep Sharma (Princeton).

Symposium Organizers: Juan Peralta, Alessandro Soncini, Takahito Nakajima

Deadline to submit abstracts: April 3, 2015.
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