Since its discovery in 2004 [1], graphene has attracted much attention due to its remarkable structural and electronic properties[2]. However, one of its main drawbacks is the lack of a gap in its electronic structure, which can limit its electronic applications. My advisor, Jorge Sofo, theorized about graphane in 2007[3], which is essentially a 2D hydrocarbon with a hydrogen atom attached to each carbon within the graphene lattice. This opens an insulating gap within the electronic structure, and the creation of graphane has proven energetically favorable. This new material remained in the realm of theory until 2009, when the group of AK Geim et al. in Manchester reported that they had successfully hydrogenated graphene[4]. Their experimental results, however, raised many interesting questions, such as the deviation of the lattice constant from theory, the wide range of measured lattice constants, and evidence suggesting less than complete hydrogenation of graphene. My research aims to understand the nature of hydrogen absorption. To do this, I use a variety of tools, both computational and theoretical, to model the interaction and bonding of Graphene-H. Computationally, most of my work involves the use of VASP[5-8], a first-principles electronic simulation code that finds the electronic states of many body systems using Density Functional Theory ( DFT). This code runs and scales well on the CyberSTAR and Lion-X clusters here at Penn State. One calculation involved simulating the energy of a single hydrogen adsorbed on graphene (see Figure 1), which showed an activation energy of ~0.2 eV required for bonding. Once the hydrogen attaches to the surface, there is also the question of whether or not it can diffuse. This...... half of the paper....... Furthmüller, Comput. Mat. Sci. 6, 15 (1996).[6] G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996).[7] G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).[8] G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).[9] G. Henkelman, BP Uberuaga and H. Jonsson, The Journal of Chemical Physics 113, 9901 (2000).[10] G. Henkelman and H. Jonsson, The Journal of Chemical Physics 113, 9978 (2000).[11] VA Margulis and EE Muryumin, in Carbon Nanomaterials in Clean Energy Hydrogen Systems (Springer, 2009), pp. 183.[12] VA Margulis, EE Muryumin and OB Tomilin, Physica B: Condensed Matter 353, 314 (2004).[13] ACT van Duin et al., The Journal of Physical Chemistry A 105, 9396 (2001).[14] V. Barone, O. Hod and GE Scuseria, Nano Letters 6, 2748 (2006).[15] AK Singh and BI Yakobson, Nano Letters 9, 1540 (2009).