Sean Ryno Email & Phone Number

Philadelphia, Pa, Us

Philadelphia, Pa, Us

Ewing, New Jersey

Ewing, New Jersey, United States

Lexington, Kentucky, Usa

Applying multiscale methodologies - including QM and MD - using GPUs to understand the structure-property relationships in conjugated polymers.Parameterizing forcefields to allow for the study of novel organic systems using molecular dynamics.Utilizing symmetry-adapted perturbation theory to develop an understanding of the interactions that drive molecular packing in small-molecule organic crystals.

Thuwal, Ksa

Research Advisor: Professor Jean-Luc Brédas • Applied a multiscale model of bulk polarization energy to model organic photovoltaic materials to capture the complex nature of the energetic landscape at the interface of these materials.• Performed molecular dynamics simulations of model organic photovoltaic bilayer interfaces to obtain more realistic interface geometries as compared to previous systems composed of two slabs brought into close-contact.• Extracted geometries from molecular dynamics snapshots to generate distributions of electronic couplings and charge transfer state energies to improve the understanding of interactions at organic-organic interfaces.• Utilized symmetry-adapted perturbation theory to construct multidimensional potential energy surfaces of the oligoacenes (i.e., benzene through hexacene) to determine how non-bonded interactions change upon dimer transformation and as a function of acene length.

Thuwal, Ksa

Atlanta, Ga

Research Advisor: Professor Jean-Luc Brédas• Dissertation: Molecular-Scale Understanding of Electronic Polarization in Organic Molecular Crystals• Developed multiscale model to determine the bulk polarization energies in organic molecular crystals. • Explored polarization in oligoacenes. Multiscale model provides improved agreement compared with other theoretical techniques concerning experimentally observed polarization energies and the polarization asymmetry due to charges of different sign.Employed combined quantum-mechanical−molecular-mechanics methods to examine the nature of intermolecular interactions in organic crystals as a function of molecular structure and chemical substitution.

Manager: Steve McLeod • Managed Mac imaging server.• Developed and maintained workstation images.• Interacted with faculty to address needs/concerns of computer equipment.

Doctor Of Philosophy (Ph.D.), Computational And Theoretical Chemistry

Dissertation titled "Molecular-Scale Understanding of Electronic Polarization in Organic Molecular Crystals", 2015.

Bachelor Of Science (B.S.), Chemistry

Activities and Societies: Sigma Nu