First-Principles Simulation of Condensed Phases: Bulk Materials | AIChE

First-Principles Simulation of Condensed Phases: Bulk Materials

Chair(s)

Gelb, L. D., Washington University in St. Louis

Co-chair(s)

Zhao, X., ORNL

We invite papers concerning all types of first-principles simulations in bulk-phase systems. These might include (but are not limited to) density functional theory studies of material properties, phase equilibria, and chemical reactions in solution or at interfaces.

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Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

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Non-Members $225.00