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Journal of Chemical Theory and Computation|July 28, 2016
Analytic Gradients for the Effective Fragment Molecular Orbital MethodColleen Bertoni, Mark S GordonThe Journal of Physical Chemistry. A|February 18, 2017
Multipole Moments in the Effective Fragment Potential MethodColleen Bertoni, Lyudmila V Slipchenko, Alston J Misquitta, et al.Accounts of Chemical Research|May 10, 2014
Efficient and accurate fragmentation methodsSpencer R Pruitt, Colleen Bertoni, Kurt R Brorsen, et al.Journal of Chemical Theory and Computation|March 7, 2024
The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large SystemsTosaporn Sattasathuchana, Peng Xu, Colleen Bertoni, et al.The Journal of Chemical Physics|April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation methodBuu Q Pham, Laura Carrington, Ananta Tiwari, et al.ACS Macro Letters|May 19, 2022
Mechanisms Underlying Ion Transport in Lamellar Block Copolymer MembranesVenkat Ganesan, Victor Pyramitsyn, Colleen Bertoni, et al.Journal of Computational Chemistry|March 29, 2019
Valence : A Massively Parallel Implementation of the Variational Subspace Valence Bond MethodGraham D Fletcher, Colleen Bertoni, Murat Keçeli, et al.The Journal of Chemical Physics|October 1, 2022
Prediction of correlation energies using variational subspace valence bondGraham D Fletcher, Colleen Bertoni, Murat Keceli, et al.Journal of Chemical Theory and Computation|October 26, 2021
Electronic Structure Theory Calculations Using Modern Architectures: KNL vs HaswellTaylor Harville, Mark S GordonThe Journal of Physical Chemistry. A|August 25, 2006
Methanol-water mixtures: a microsolvation study using the effective fragment potential methodIvana Adamovic, Mark S GordonPageof 25