Hierarchical Multiscale Stochastic Simulations
Abhijit Chatterjee, University of Delaware, 353 Colburn Lab, Academy Street, Newark, DE 19716 and Dionisios G. Vlachos, University of Delaware, Department of Chemical Engineering, 150 Academy St., 325 Colubrn Lab, Newark, DE 19716 |
Developing a Reduced Order State Space Model for a Thin Film Deposition Process
Cihan Oguz and Martha A. Gallivan, School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Ford Environmental Science & Technology Building, 311 Ferst Drive, Atlanta, GA 30332 |
Development of Approximate Growth Models to Control Thin-Film Deposition Using Stochastic Differential Equations
Amit Varshney, Pennsylvania State University, 23 Fenske Laboratory, Pennsylvania State University, University Park, PA 16802 and Antonios Armaou, The Pennsylvania State University, University Park, PA 16802 |
From Atomistic to Mesoscale Models: Coarse-Graining Techniques
Naresh Chennamsetty1, Henry Bock1, Keith E. Gubbins1, Jörg Silbermann2, Sabine H. L. Klapp2 and Martin Schoen2, (1)Department of Chemical and Biomolecular Engineering, North Carolina State University, 911 Partners Way, Campus Box 7905, Raleigh, NC 27695, (2)Stranski-Laboratory for Physical and Theoretical Chemistry, Technical University, Berlin, Straβe des 17. Juni 124, Berlin, Germany |
Coarse-Graining the Actin Filament from Atomistic Simulations
Jhih-Wei Chu, Center for Biophysical Modeling and Simulation and the Department of Chemistry, University of Utah, Room 2020, 315 S 1400 E, Salt Lake City, UT 84112 and GREGORY A. Voth, Center for Biophysical Modeling and Simulation and the Department of Chemistry, University of Utah, Room 2020, 315 S 1400 E, Salt Lake City, UT 84112 |
Development of Coarse-Grained Force Fields for Polymer-Tethered Silsesquioxanes
Elaine R. Chan1, Alberto Striolo2, Clare McCabe3, Peter T. Cummings3 and Sharon C. Glotzer1, (1)Department of Chemical Engineering, University of Michigan, Ann Arbor, MI 48109-2136, (2)School of Chemical Biological and Materials Engineering, University of Oklahoma, Norman, OK 73019, (3)Department of Chemical Engineering, Vanderbilt University, Nashville, TN 37235-1604 |
Coarse-Grained Molecular Dynamics Simulations of Polymer Melts: Crossover from the Rouse to Reptation Regime
Praveen K. Depa, Pennsylvania State University, 115 Fenske Lab, University Park, PA 16802 and Janna K. Maranas, Chemical Engineering, Penn State University, 132C Fenske Lab, University Park, PA 16802 |
An Equation-Free Probabilistic Steady State Approximation: Dynamic Application to the Stochastic Simulation of Chemically Reacting Systems
Howard Salis, Department of Chemical Engineering and Materials Science, University of Minnesota, 151 Amundson Hall, 421 Washington Ave SE, Minneapolis, MN 55455 and Yiannis Kaznessis, Chemical Engineering and Materials Science, University of Minnesota, Room 151, 421 Washington Ave. SE, Minneapolis, MN 55454 |