Computational Molecular Science and Engineering Forum | |||
| Session 602 - Multiscale Modeling I | |||
| This session is concerned with multi-scale modeling of scientific and engineering systems. Problems can range from molecular modeling to phase equilibrium to transport and reaction kinetics to multi-scale processing, as well as others. Both methodological and application papers on multi-scale modeling, simulation and/or optimization are welcome. The primary theme of any contribution should be either the multi-scale nature of the model or the simulation and/or optimization of that model, and should focus on a minimum of two separate time or length scales. | |||
| Chair: | Angelo Lucia | ||
| CoChair: | Ioannis Androulakis | ||
| Introductory Remarks | |||
| 602a | Probabilistic Molecular Dynamics: Playing Dice with Molecules Frank T. Willmore, Isaac C. Sanchez, Xiaoyan Wang | ||
| 602b | Local Estimation and Coarse-Grained Numerics for Stochastic Reaction Models Christopher P. Calderon, Yannis G. Kevrekidis | ||
| 602c | Reduction of Multi-Scale Systems of Chemical Langevin Equations Vassilios Sotiropoulos, Marie-Nathalie Contou-Carrere, Prodromos Daoutidis, Yiannis N. Kaznessis | ||
| 602d | Multiscale Modeling of Coupled Drying and Nonideal Polymerization in Sol-Gel Silica Films Xin Li, Stephen E. Rankin | ||
| 602e | The Optimal Bidisperse Pore Structure of a Catalyst Chip Gang Wang, Eivind Johannessen, Chris R. Kleijn, Simon W. de Leeuw, Marc-Olivier Coppens | ||
| 602f | Multiscale Modeling and Analysis: Bridge the Gap between Material Design and Material Application in Surface Coating Jie Xiao, Yinlun Huang | ||
| 602g | Multiscale Modeling of the Physiological Response of Skin to Focused High Power Microwave Exposure Sang Ok Song, Jeffrey D. Varner | ||
| Concluding Remarks | |||
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