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Ahmed E. Ismail
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Industrial applications of enzymes: Recent advances, techniques, and outlooks
J Chapman, A Ismail, C Dinu
Catalysts 8 (6), 238, 2018
4532018
Capillary waves at the liquid-vapor interface and the surface tension of water
AE Ismail, GS Grest, MJ Stevens
The Journal of chemical physics 125 (1), 014702, 2006
2132006
Capillary waves at the liquid-vapor interface and the surface tension of water models
AE Ismail, GS Grest, MJ Stevens
arXiv preprint cond-mat/0605104, 0
213*
Application of Ewald summations to long-range dispersion forces
PJ in 't Veld, AE Ismail, GS Grest
The Journal of chemical physics 127 (14), 144711, 2007
1272007
Development and application of a particle-particle particle-mesh Ewald method for dispersion interactions
RE Isele-Holder, W Mitchell, AE Ismail
The Journal of chemical physics 137 (17), 174107, 2012
1192012
Effects of Water Concentration on the Structural and Diffusion Properties of Imidazolium-Based Ionic Liquid–Water Mixtures
AA Niazi, BD Rabideau, AE Ismail
The Journal of Physical Chemistry B 117 (5), 1378-1388, 2013
1152013
Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations
M Döntgen, MD Przybylski-Freund, LC Kröger, WA Kopp, AE Ismail, ...
Journal of chemical theory and computation 11 (6), 2517-2524, 2015
1132015
Observed Mechanism for the Breakup of Small Bundles of Cellulose Iα and Iβ in Ionic Liquids from Molecular Dynamics Simulations
BD Rabideau, A Agarwal, AE Ismail
The Journal of Physical Chemistry B 117 (13), 3469-3479, 2013
1112013
The Role of the Cation in the Solvation of Cellulose by Imidazolium-Based Ionic Liquids
BD Rabideau, A Agarwal, AE Ismail
The Journal of Physical Chemistry B 118 (6), 1621-1629, 2014
932014
Mechanisms of hydrogen bond formation between ionic liquids and cellulose and the influence of water content
BD Rabideau, AE Ismail
Physical Chemistry Chemical Physics 17 (8), 5767-5775, 2015
832015
Interfacial Structure and Dynamics of Siloxane Systems: PDMS− Vapor and PDMS− Water
AE Ismail, GS Grest, DR Heine, MJ Stevens, M Tsige
Macromolecules 42 (8), 3186-3194, 2009
792009
Multiresolution analysis in statistical mechanics. I. Using wavelets to calculate thermodynamic properties
AE Ismail, GC Rutledge, G Stephanopoulos
The Journal of chemical physics 118 (10), 4414-4423, 2003
742003
Forces between functionalized silica nanoparticles in solution
JMD Lane, AE Ismail, M Chandross, CD Lorenz, GS Grest
Physical Review E 79 (5), 050501, 2009
712009
Multiresolution analysis in statistical mechanics. II. The wavelet transform as a basis for Monte Carlo simulations on lattices
AE Ismail, G Stephanopoulos, GC Rutledge
The Journal of chemical physics 118 (10), 4424-4431, 2003
592003
On the Applicability of Force Fields to Study the Aggregation of Amyloidogenic Peptides Using Molecular Dynamics Simulations
M Carballo-Pacheco, AE Ismail, B Strodel
Journal of chemical theory and computation, 2018
572018
Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation
RE Isele-Holder, W Mitchell, JR Hammond, A Kohlmeyer, AE Ismail
Journal of Chemical Theory and Computation 9 (12), 5412-5420, 2013
552013
Surface tension of normal and branched alkanes
AE Ismail, M Tsige, PJ in't Veld, GS Grest
Molecular Physics 105 (23-24), 3155-3163, 2007
532007
Structure and dynamics of water near the interface with oligo (ethylene oxide) self-assembled monolayers
AE Ismail, GS Grest, MJ Stevens
Langmuir 23 (16), 8508-8514, 2007
452007
The vectorization of the tersoff multi-body potential: an exercise in performance portability
M Höhnerbach, AE Ismail, P Bientinesi
Proceedings of the International Conference for High Performance Computing …, 2016
392016
Fully Atomistic Simulations of the Response of Silica Nanoparticle Coatings to Alkane Solvents
BL Peters, JMD Lane, AE Ismail, GS Grest
Langmuir 28 (50), 17443-17449, 2012
382012
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