Skip to main content
Toggle main menu visibility
Menu
Join
Sign In
Communities
Membership
Events
Publications
Learning & Careers
AIChE Home
About
Contact AIChE
Leadership
Events
Communities
Membership
Learning & Careers
Publications
Careers at AIChE
Equity, Diversity, Inclusion
Giving
Students
Young Professionals
Operating councils
Local Sections
Committees
Awards
Communities
Membership
Events
Publications
Learning & Careers
Toggle site search visibility
Sign In
Join
Breadcrumb
Home
Publications
Proceedings
2017 Metabolic Engineering Summit
General Submissions
ME as an Enabling Technology for Driving Innovation
Impact of yeast lipid pathway engineering and bioprocess strategy on cellular physiology and lipid content
2011 Annual Meeting
Session: Computational Catalysis V
Chair
Janik, M.
, The Pennsylvania State University
Co-Chair
Heyden, A.
, University of South Carolina
Presentations
12:30 PM
(284a) Role of Band-Filling, Oxidation State, and Strain On Perovskite Reactivity
12:50 PM
(284b) Energetic Electron Induced Chemical Reactions On Metal Surfaces: First-Principles Based Electron Scattering Model
01:10 PM
(284c) Development and Application of a Hybrid QM/MM Method for the Computational Investigation of Reactions At Metal/Water Interfaces
01:30 PM
(284d) Connecting Molecular Processes to Macrokinetic Observables Using First-Principles Simulations
01:50 PM
(284e) Optimization-Based Methods for Catalysis: Developing Improved Approaches to Microkinetic Modeling and Their Application to Methanol Synthesis
02:10 PM
(284f) Computational Characterization of Pd/Ceria Catalysts Using DFT+U and ReaxFF
02:30 PM
(284g) Molecular Simulations of the Oxidation of Platinum-Based Alloy Catalysts for Fuel Cells
