Dear All,
Professor Giulia Galli, from U.C. Davis, is presenting a theoretical
chemistry seminar TODAY (Wednesday, May 11) from 4:00-6:00pm in Room
4-149 at MIT. Please take note of the location!
Title: Understanding and predicting materials for energy: Insight from
quantum simulations
Abstract: The understanding and prediction of fundamental properties of
materials and molecular systems from the basic equations of quantum
mechanics is an important component in the design of materials for
energy applications. However the field of quantum simulations is still
in its infancy and formidable theoretical and computational challenges
lay ahead. After a general introduction of current first principles
theories and techniques to describe molecules and condensed phases, we
will discuss recent progress in predicting optical and thermoelectric
properties of nanostructured materials, as well as some deceivingly
simple fluids, i.e. water and hydrocarbons. We will then address open
problems in quantum simulations of matter, especially the complex
interplay between theory, computation, and experiment.
Thank you!
Lee-Ping Wang
Van Voorhis Group
MIT Department of Chemistry
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