AMERICAN CHEMICAL SOCIETY
CALL FOR PAPERS
Structure, dynamics and reactivity at complex interfaces with relevance in renewable energy and environmental applications. At 251st ACS National Meeting & Exposition
San Diego, California March 13-‐17, 2016 Submission Deadline: October 12, 2015 The interface between a solid and a complex, multi-component liquid constitutes a unique reaction environment whose structure and composition can significantly deviate from either bulk or liquid phases. Additionally, it is poorly understood due the innate difficulty to obtain molecular level information. A large number of important chemical phenomena, relevant to catalysis (e.g. electrochemical and thermal catalysis), geochemistry and atmospheric/environmental phenomena happen at these interfaces. In all cases, critical scientific questions arise regarding what species are present at the surface proximal to the liquid boundary layer, the impact of the dynamics and structure of this layer on surface reconstruction and reactivity. Advances in computational methods have afforded us with the unique opportunity to address these issues at different length and time scales. The goal of the proposed session is to bring together world-leading computational scientists interested in these phenomena and engage them in spirited exchange of ideas, new methodological advances and forefront applications. Topics of particular interest are: ab initio molecular dynamics, enhanced sampling techniques and multi-scale approaches. Please submit your abstracts using (http://maps.acs.org). Any other inquiries should be directed to: Vanda Glezakou, Senior Scientist, Pacific Northwest National Laboratory Email:
[email protected] Roger Rousseau, Senior Scientist, Pacific Northwest National Laboratory Email:
[email protected]
