New subject: [Aspuru-Guzik group list] -- Special AAG group meeting: Nov 6th, 1:30 pm, Division Room.

29 Oct 2013

Dear AAG members,

Dr. Jorge Aguilera-Iparraguirre (MIT) will be visiting us on November 6, 2013. He will
give a talk at 1:30 pm in the Division room titled:

"EXPLICITLY-CORRELATED METHODOLOGIES IN THE SEARCH FOR ALTERNATIVE FUELS: THE KORCEK
REACTION AND MORE."

Abstract:

This talk will attempt to explain a three point process: First, the importance of kinetic
modeling in the study of alternative fuels. Second, how the implementation of automatic
computer generation has had a great impact in the reliability and usability of such
models, and third, how the set of explicitly-correlated methods available nowadays (in
particular CCSD(T)-F12) has made possible to fill the gaps in accuracy that the kinetic
methods have lacked in the pass.

As the main topic of the talk, the re-discovery of the Korcek reaction. The subject of our
latest research. Using very different techniques, from multireference to explicit-
correlated calculations, from Transitions State Theory to liquid phase, all in search for
an answer to a thirty years old question.

As usual, we have half-hour time windows available for the group members who wants to talk
to him. Please see his attached agenda (and CV), and let me know which time suits you the
most. We also have openings for an in-house lunch for 3 more people.

Best,
Suleyman

PS. We have to complete this schedule today.