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The Journal of Physical Chemistry. A|October 18, 2021
PDG: A Composite Method Based on the Resolution of the IdentityBuu Q Pham, Dipayan Datta, Mark S GordonThe Journal of Physical Chemistry. A|February 15, 2023
Quantum Chemical Modeling of Propellant DegradationJorge L Galvez Vallejo, Garrett M Tow, Edward J Maginn, et al.Physical Chemistry Chemical Physics : PCCP|November 30, 2016
Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype studyBuu Q Pham, Mark S GordonJournal of Chemical Theory and Computation|February 28, 2019
Compressing the Four-Index Two-Electron Repulsion Integral Matrix using the Resolution-of-the-Identity Approximation Combined with the Rank Factorization ApproximationBuu Q Pham, Mark S GordonJournal of Chemical Theory and Computation|September 12, 2019
Hybrid Distributed/Shared Memory Model for the RI-MP2 Method in the Fragment Molecular Orbital FrameworkBuu Q Pham, Mark S GordonJournal of Chemical Theory and Computation|January 4, 2020
Development of the FMO/RI-MP2 Fully Analytic Gradient Using a Hybrid-Distributed/Shared Memory Programming ModelBuu Q Pham, Mark S GordonJournal of Chemical Theory and Computation|April 3, 2023
Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum FunctionsBuu Q Pham, Melisa Alkan, Mark S GordonJournal of Chemical Theory and Computation|July 19, 2021
A Massively Parallel Implementation of the CCSD(T) Method Using the Resolution-of-the-Identity Approximation and a Hybrid Distributed/Shared Memory Parallelization ModelDipayan Datta, Mark S GordonJournal of Chemical Theory and Computation|October 25, 2023
Accelerating Coupled-Cluster Calculations with GPUs: An Implementation of the Density-Fitted CCSD(T) Approach for Heterogeneous Computing Architectures Using OpenMP DirectivesDipayan Datta, Mark S GordonThe 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.Pageof 27