Development and Application of Advanced Molecular Simulation Methods for Computing the Properties of Ionic Liquids
Edward J. Maginn, Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN |
Perspectives and Challenges in Adsorption Science and Nanoporous Materials
Krista S. Walton, Department of Chemical Engineering, Kansas State University, Manhattan, KS |
Using Thermodynamic Properties from First-Principles Calculations to Accelerate the Search for Metal Hydride-Based Hydrogen Storage Materials
David S. Sholl1, Sudhakar Alapati2, Ki-Chul Kim2, Bing Dai3 and J. Karl Johnson3, (1)School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, (2)Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, (3)Department of Chemical and Petroleum Engineering, University of Pittsburgh, Pittsburgh, PA |
Using Molecular Modeling to Understand Enzymatic Cellulose Hydrolysis
Clare McCabe, Department of Chemical Engineering, Vanderbilt University, Nashville, TN, Xiongce Zhao, Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, TN and Michael E. Himmel, National Renewable Energy Laboratory, Golden, CO |
Nonequilibrium Dynamics and the Electrostatic Charging of Granular Systems
Daniel J. Lacks, Department of Chemical Engineering, Case Western Reserve University, Cleveland, OH |
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