Colleen Bertoni

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

Efficient and Accurate Fragmentation Methods

Spencer R. Pruitt, Colleen Bertoni, Kurt R. Brorsen et al. · Accounts of Chemical Research · 2014 · 97 citations

Cluster Computing, Fragment Molecular Orbital, Engineering +24

Mechanisms Underlying Ion Transport in Lamellar Block Copolymer Membranes

Venkat Ganesan, Victor Pyramitsyn, Colleen Bertoni et al. · ACS Macro Letters · 2012 · 69 citations

Membrane Structure, Block Co-polymers, Mw Dependence +14

Perspective: <i>Ab initio</i> force field methods derived from quantum mechanics

Peng Xu, Emilie B. Guidez, Colleen Bertoni et al. · The Journal of Chemical Physics · 2018 · 63 citations · Full text

Engineering, Material Simulation, Computational Chemistry +17

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