Fawzi Mohamed

Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

Joost VandeVondele, Matthias Krack, Fawzi Mohamed et al. · Computer Physics Communications · 2005 · 5.7K citations · Full text

Natural Sciences, Chemistry, Physics +14

The influence of temperature and density functional models in <i>ab initio</i> molecular dynamics simulation of liquid water

Joost VandeVondele, Fawzi Mohamed, Matthias Krack et al. · The Journal of Chemical Physics · 2004 · 502 citations

Natural Sciences, Chemistry, Physics +17

Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

Thomas D. Kühne, Matthias Krack, Fawzi Mohamed et al. · Physical Review Letters · 2007 · 456 citations · Full text

Natural Sciences, Chemistry, Physics +17

Liquid Water from First Principles:  Investigation of Different Sampling Approaches

I‐Feng W. Kuo, Christopher J. Mundy, Matthew J. McGrath et al. · The Journal of Physical Chemistry B · 2004 · 342 citations

Natural Sciences, Chemistry, Physics +17

An Efficient Real Space Multigrid QM/MM Electrostatic Coupling

Teodoro Laino, Fawzi Mohamed, Alessandro Laio et al. · Journal of Chemical Theory and Computation · 2005 · 283 citations

Natural Sciences, Chemistry, Physics +17