A new wavelet-based paradigm for hierarchical coarse-graining applied to materials modeling. - Ahmed E. Ismail; Gregory C. Rutledge; George Stephanopoulos (ACC, 2004)

Using wavelet transforms for multiresolution materials modeling. - Ahmed E. Ismail; Gregory C. Rutledge; George Stephanopoulos (Comput. Chem. Eng., 2005)

A Scalable, Linear-Time Dynamic Cutoff Algorithm for Molecular Dynamics. - Paul Springer; Ahmed E. Ismail; Paolo Bientinesi (ISC, 2015)

The vectorization of the tersoff multi-body potential: an exercise in performance portability. - Markus Höhnerbach; Ahmed E. Ismail; Paolo Bientinesi (SC, 2016)

Accelerating scientific codes by performance and accuracy modeling. - Diego Fabregat-Traver; Ahmed E. Ismail; Paolo Bientinesi (CoRR, 2016)

A Note on Time Measurements in LAMMPS. - Daniel Tameling; Paolo Bientinesi; Ahmed E. Ismail (CoRR, 2016)

LAMMPS' PPPM Long-Range Solver for the Second Generation Xeon Phi. - William McDoniel; Markus Höhnerbach; Rodrigo Canales; Ahmed E. Ismail; Paolo Bientinesi (ISC, 2017)

Multiresolution Modeling of Semidilute Polymer Solutions: Coarse-Graining Using Wavelet-Accelerated Monte Carlo. - Animesh Agarwal; Brooks D. Rabideau; Ahmed E. Ismail (Comput., 2017)

The Tersoff many-body potential: Sustainable performance through vectorization. - Markus Höhnerbach; Ahmed E. Ismail; Paolo Bientinesi (CoRR, 2017)

Accelerating molecular dynamics codes by performance and accuracy modeling. - Diego Fabregat-Traver; Ahmed E. Ismail; Paolo Bientinesi (J. Comput. Sci., 2018)