Multiscale Simulations of Ortho-Terphenyl in Bulk and Freestanding Films
Jayeeta Ghosh and Roland Faller, UC Davis, One Shields Ave, Davis, CA 95616 |
Determination of the Onset of Structural Transitions in Condensed Matter through Coarse Molecular Dynamics
Miguel A. Amat, University of Massachusetts, Amherst, 686 North Pleasant Street; 214 Goessmann Laboratory, Amherst, MA 01003, Yannis G. Kevrekidis, Princeton University, Department of Chemical Engineering, Princeton, NJ 08544 and Dimitrios Maroudas, University of Massachusetts, Department of Chemical Engineering, Amherst, MA 01003 |
The Properties of Asymmetric Binary Lennard-Jones Mixtures Using Coarse-Grained Two-Body Effective Potentials
Timothy I. Morrow, Chemical and Biomolecular Engineering, North Carolina State University, Box 7905, Raleigh, NC 27695-7905 and Keith E. Gubbins, North Carolina State University, Raleigh, NC 27695 |
Coarse-Grained Lattice Kinetic Monte Carlo Simulations of Defect Aggregation in Crystalline Silicon
Jianguo Dai, Chemical and Biomolecular Engineering, University of Pennsylvania, Philadelphia, PA 19104, Warren D. Seider, University of Pennsylvania, Department of Chemical and Biomolecular Engineering, Philadelphia, PA 19104/6393 and Talid R. Sinno, Department of Chemical and Biomolecular Engineering, University of Pennsylvania, 311A Towne Building, 220 South 33rd Street, Philadelphia, PA 19104-6393 |
Mesoscale Simulations of Hydrated Nafion Membranes
Aleksey Vishnyakov, TRI/Princeton, 601 Prospect Avenue, Princeton, NJ 08540 and Alexander V. Neimark, TRI/Princeton, 601 Prospect Ave, Princeton, NJ 08542 |
Calculation of Local Pressure Tensors in Systems with Many-Body Interactions
Hendrik Heinz1, Wolfgang Paul2 and Kurt Binder2, (1)Materials and Manufacturing Directorate, Air Force Research Laboratory, Bldg 654, suite 341, 2977 P Street, Wright-Patterson AFB, OH 45433, (2)Institute of Physics, University of Mainz, Staudinger Weg 7, Mainz, D-55099, Germany |
Multiscale Simulation of Self-Assembly of Nanoparticles in Diblock Copolymers
Maurizio Fermeglia and Sabrina Pricl, University of Trieste, Piazzale Europa 1, Trieste, 34127, Italy |
Integrated Process and Product Analysis for Automotive Paint Spray: a Multiscale Approach
Jia Li, Wayne State University, 5200 Anthony Wayne Dr. Apt#1103, Detroit, MI 48202, Jie Xiao, Department of Chemical Engineering and Materials Science, Wayne State University, 5050 Anthony Wayne Drive, Detroit, MI 48202, Yinlun Huang, Wayne State University, 5050 Anthony Wayne Drive, Detroit, MI 48202 and Helen H. Lou, Department of Chemical Engineering, Lamar University, P.O.Box 10053, Beaumont, TX 77710 |
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