Tuesday, June 21, 2011

Simulating spin dynamics in NMR with a new computer program intended for education: Insensitive

This article is not directly related to Dynamic Nuclear Polarization, however, it describes a simulation program for NMR spectroscopy that can even be used on an iPhone.

Boldt, K., Simulating spin dynamics in NMR with a new computer program intended for education: Insensitive. Concepts in Magnetic Resonance Part A, 2011. 38A(2): p. 17-24


Abstract The NMR experiment is usually described by a choice of three models that operate on different levels of abstraction: the vector model, the product operator formalism and the density matrix approach. The transition between these models poses a didactic challenge for teacher and student alike. A new computer program is presented, which simulates a spin system on the textbook level and compares the three approaches, with the possibility to manipulate the system at every step. It closes a gap between NMR education and professional simulation tools. Some algorithms are explained, which are used in the simulation to extract information from the density matrix. © 2011 Wiley Periodicals, Inc. Concepts Magn Reson Part A 38A: 17–24, 2011.