- Program Years: 2000-2004
- Academic Institution: Massachusetts Institute of Technology
- Field of Study: Chemical Engineering
- Academic Advisor: Gregory Rutledge
Oak Ridge National Laboratory (2002)
Ph.D. Chemical Engineering, Massachusetts Institute of Technology, 2005
B.S. Chemical Engineering, Yale University, 1998
- Status: Deceased
- Research Area: Molecular Simulations and Multiscale Modeling
- Personal URL: https://molecularsimulations.wvu.edu
CommentsMy current work involves molecular simulations of biomolecules involved in the production of fuels, as well as other projects related to the study of material interfaces.
PublicationsAE Ismail, JA Greathouse, PS Crozier, and SM Foiles. The Effect of Electron-Ion Coupling on Simulations of Radiation Damage in a Pyrochlore Wasteform. J. Phys.: Cond. Matter, 22, 225405 (2010).
JMD Lane, AE Ismail, ME Chandross, CD Lorenz, and GS Grest. Forces between functionalized silica nanoparticles in solution. Phys. Rev. E, 79, 050501R (2009).
AE Ismail, GS Grest, DR Heine, MJ Stevens, and M Tsige. Interfacial structure and dynamics of siloxane systems: PDMS-vapor and PDMS-water. Macromolecules, 42, 3186 (2009).
A. E. Ismail, G. S. Grest, and M. J. Stevens. Structure and dynamics of water near the interface with oligo(ethylene oxide) self-assembled monolayers. Langmuir. 23, 8508 (2007).
AE Ismail, GS Grest, and MJ Stevens. Capillary waves at the liquid-vapor interface and surface tension of water models. J. Chem. Phys. 125, 014702 (2006). (Also at arXiv.org: cond-mat/0605104.)
AE Ismail, G Stephanopoulos, and GC Rutledge. Topological coarse graining of polymer chains using wavelet-accelerated Monte Carlo. Part I, J. Chem. Phys., 118, 234901 (2005); Part II, J. Chem. Phys., 118, 234902 (2005).
AE Ismail, GC Rutledge, and G Stephanopoulos. Multiresolution analysis in statistical mechanics. Part I, J. Chem. Phys., 118, 4414 (2003); Part II, J. Chem. Phys. 118, 4424 (2003).