419 Designing Products and Molecules

Wednesday, November 6, 2013: 8:30 AM
Continental 9 (Hilton)
Description:
Designing a new chemical product or moelcule is a complex process requiring many tools to assist in the innovation, evaluation and management of a novel concept. This session welcomes papers discussing experiences in product and moelcular design

Sponsor:
Systems and Process Design
Co-Sponsor(s):
Product Design (12g)

Chair:
Nishanth G. Chemmangattuvalappil
Email: nishanth.c@nottingham.edu.my

Co-Chair:
Kyle V. Camarda
Email: camarda@ku.edu

- indicates paper has an Extended Abstract file available on CD.


8:30 AM
(419a) Application of Quantum-Based Descriptors to the Molecular Design of Ionic Liquids
Qi Chen, Aaron M. Scurto and Kyle V. Camarda
File available
8:52 AM
(419b) Use of Water-Oil-Surfactant System Phase Behavior Data/Model for Emulsion-Based Chemical Product Design
Michele Mattei, Georgios Kontogeorgis and Rafiqul Gani

9:14 AM
(419c) QM - Camd: Advances in Computer-Aided Molecular Design of Solvents for Reactions
Eirini Siougkrou, Amparo Galindo and Claire Adjiman

9:36 AM
(419d) Automated Selection of Products and Chemistry in Biomass Conversion Through Network Generation and Optimization
W. Alex Marvin, Srinivas Rangarajan and Prodromos Daoutidis

9:58 AM
(419e) Utilization of Multi-Dimensional Characterization in Virtual High-Throughput Screening
Robert Herring III and Mario Richard Eden

10:20 AM
(419f) Generation of Candidate Reactant Structures Using Signature Descriptors
Vikrant Dev, Nishanth G. Chemmangattuvalappil and Mario Richard Eden

10:42 AM
(419g) New Perspectives On the Integration of Environmental Impacts Within a Molecular Design Framework
Amirhossein Mehrkesh and Arunprakash T. Karunanithi
See more of this Group/Topical: Computing and Systems Technology Division
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