Dear Aspuruites,
Prof. Bin Chen is visiting next Tuesday (4/6) as the theochem speaker. He
will be talking about nucleation events (see abstract below). If you are
interested in speaking with him for 15-30 min in the afternoon, I would
really appreciate your time - there is even space for dinner!
Please let me know if you can meet with Prof. Chen by Monday, noon.
Thanks,
Leslie
--
Leslie Vogt
Aspuru-Guzik Group
Chemistry and Chemical Biology
Harvard University
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Towards Understanding the Nucleation Mechanism for Multi-Component
Systems: An Atomistic Approach
Despite decades of intense research efforts, the molecular details of
atmospheric nucleation processes have been elusive and highly debated.
Although laboratory experiments and field studies have provided
important insights in the chemical species that are actively involved in
these nucleation processes, there is very little information on the
atomic-level structure of critical nuclei. The problem originates from
the activated nature of these processes and the inherent difficulty in
the direct probing of the critical nuclei as they are transient and
their occurrence probabilities are extremely low. This presentation will
focus on the recent development of the aggregation-volume-bias Monte
Carlo based simulation method and the application of this atomistic
approach to the molecular-level characterization of various
nucleation processes. Topics will be selected from: (i) multi-component
nucleation of water, n-alkane, and alcohols; (ii) ion enhanced
nucleation of water; and (iii) extension of this technique to the
crystal nucleation in super-cooled clusters.
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