Multiscale Modelling II | AIChE

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Multiscale Modelling II

Chair(s)

Santiso, E., Massachusetts Institute of Technology

Co-chair(s)

Coppens, M. O., Rensselaer Polytechnic Institute

Many problems in chemical engineering are governed by time and length scales that differ by several orders of magnitude. Bridging these scales with integrated, multi-scale models is a challenging problem. Papers are solicited on novel, integrated multi-scale modeling methods with emphasis on discussion of algorithmic details and applications in chemical and biological engineering.

Presentations

12:30 PM
(111a) Use of the Ornstein-Zernike Percus-Yevick Equation to Extract Interaction Potentials From Pair Correlation Functions
12:50 PM
(111b) Field Biased Molecular Simulation Technique for Complex Fluids
1:10 PM
(111c) Spatial Updating Monte Carlo in the Great Grand Canonical Ensemble
1:30 PM
(111d) Systematic Identification of Coarse Variables in Biomolecular Systems through Dimensionality-Reduction Tools: Reconstruction and Navigation of Free-Energy Landscapes
1:50 PM
(111e) Dimerization of Protegrin-1 Peptides in Different Environments
2:10 PM
(111f) A Multi-Scale Approach to Modeling Aqueous Electrolyte Mixtures at High Pressure
2:30 PM
(111g) Multi-Scale Modeling of Polymer Electrolyte Membrane Fuel Cells

Topics 

Materials
Physical Properties

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Pricing

Individuals

AIChE Pro Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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