747 Molecular and Mesoscopic Systems: Methods and Applications

Thursday, November 7, 2013: 3:15 PM
Continental 6 (Hilton)
Description:
Advances in the modeling and simulation of molecular and mesoscopic level systems are invited. Interfaces, molecular interactions, coarse graining, mesoscopic simulations and modeling, as well as multiscale approaches are among the areas that are covered by this session.

Sponsor:
Applied Mathematics and Numerical Analysis
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)

Chair:
Nael H. El-Farra
Email: nhelfarra@ucdavis.edu

Co-Chair:
Isaac K. Gamwo
Email: Gamwo@netl.doe.gov


3:15 PM
(747a) Modeling of Protein Crystal Aggregation in Batch Crystallization
Michael Nayhouse, Sangil Kwon, Panagiotis D. Christofides and Gerassimos Orkoulas

3:35 PM
(747b) Discovering Crystals Using Shape Matching and Machine Learning
Carolyn L. Phillips and Gregory A. Voth

3:55 PM
(747c) Current-Driven Evolution of Single-Layer Epitaxial Islands and Island Pairs On Crystalline Solid Substrates
Dwaipayan Dasgupta, Georgios I. Sfyris and Dimitrios Maroudas

4:15 PM
(747d) Protein-Sorting, Curvature-Induction and Curvature Sensing in Lipid Membranes: Quantification of Free Energies in a Mesoscale Cell Membrane Model
Richard Tourdot, Ramakrishnan Natesan and Ravi Radhakrishnan

4:35 PM
(747e) Multiresolution Modeling of Polymer Solutions: Wavelet-Based Coarse-Graining and Reverse-Mapping
Animesh Agarwal, Carl Simon Adorf, Christopher R. Iacovella and Ahmed E. Ismail

4:55 PM
(747f) Sequestering of Toxins for the Reversal of Drug Toxicity: A Coarse Grained Molecular Dynamics Study
Manuela A. A. Ayee and Belinda S. Akpa

5:15 PM
(747g) Pattern Formation and Coarsening in Molecularly-Tethered Lipid Membranes
Steven M. Abel
See more of this Group/Topical: Computing and Systems Technology Division
<< Previous Session | Next Session >>