Luke Roskop

Recent developments in the general atomic and molecular electronic structure system

Giuseppe M. J. Barca, Colleen Bertoni, Laura Carrington et al. · The Journal of Chemical Physics · 2020 · 1.4K citations · Full text

Fragment Molecular Orbital, Engineering, Computer Architecture +21

Accurate Methods for Large Molecular Systems

Mark S. Gordon, Jonathan M. Mullin, Spencer R. Pruitt et al. · The Journal of Physical Chemistry B · 2009 · 192 citations

Fragment Molecular Orbital, Engineering, Molecular Biology +17

A Paradigm for Blue- or Red-Shifted Absorption of Small Molecules Depending on the Site of π-Extension

Kenneth Hanson, Luke Roskop, Peter I. Djurovich et al. · Journal of the American Chemical Society · 2010 · 117 citations

Engineering, Aromatic Molecules, Absorption Spectroscopy +21

Systematic Fragmentation Method and the Effective Fragment Potential: An Efficient Method for Capturing Molecular Energies

Jonathan M. Mullin, Luke Roskop, Spencer R. Pruitt et al. · The Journal of Physical Chemistry A · 2009 · 67 citations

Capturing Molecular Energies, Efp Method, Molecular Kinetics +15

The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures

Federico Zahariev, Peng Xu, Bryce M. Westheimer et al. · Journal of Chemical Theory and Computation · 2023 · 63 citations · Full text

Novel Methods, Engineering, Computer Architecture +16