Buu Q. Pham

Iowa State University — United States

Physics and Astronomy · Physical Sciences

13h-index1.9kcitations27works7.02yr avg
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Research Topics

Advanced Chemical Physics Studies(10), Advanced NMR Techniques and Applications(8), Distributed and Parallel Computing Systems(5), Catalysis and Oxidation Reactions(5), Graphene research and applications(4)

Publications27 total

LibERI—A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism
The Journal of Chemical Physics·2024· 8 citedOpen Access
Runtime performance of a GAMESS quantum chemistry application offloaded to GPUs
Concurrency and Computation Practice and Experience·2024· 1 citedOpen Access
The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems
Journal of Chemical Theory and Computation·2024· 12 citedOpen Access
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures
Journal of Chemical Theory and Computation·2023· 63 citedOpen Access
Enabling Fortran Standard Parallelism in GAMESS for Accelerated Quantum Chemistry Calculations
Journal of Chemical Theory and Computation·2023· 10 citedOpen Access
High-performance strategies for the recent MRSF-TDDFT in GAMESS
The Journal of Chemical Physics·2023· 3 citedOpen Access
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method
The Journal of Chemical Physics·2023· 9 citedOpen Access
Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum Functions
Journal of Chemical Theory and Computation·2023· 19 citedOpen Access
Multi-level parallelization of quantum-chemical calculations
The Journal of Chemical Physics·2023· 20 citedOpen Access
Quantum Chemical Modeling of Propellant Degradation
The Journal of Physical Chemistry A·2023
OpenMP application experiences: Porting to accelerated nodes
Parallel Computing·2021· 39 citedOpen Access
PDG: A Composite Method Based on the Resolution of the Identity
The Journal of Physical Chemistry A·2021· 4 citedOpen Access
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part I)
Lecture notes in computer science·2021· 7 cited
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part II)
Lecture notes in computer science·2021· 10 cited
Recent developments in the general atomic and molecular electronic structure system
The Journal of Chemical Physics·2020· 1.4k citedOpen Access
Development of the FMO/RI-MP2 Fully Analytic Gradient Using a Hybrid-Distributed/Shared Memory Programming Model
Journal of Chemical Theory and Computation·2020· 23 cited
Performance of the RI-MP2 Fortran Kernel of GAMESS on GPUs via Directive-Based Offloading with Math Libraries
Lecture notes in computer science·2020· 8 cited
Hybrid Distributed/Shared Memory Model for the RI-MP2 Method in the Fragment Molecular Orbital Framework
Journal of Chemical Theory and Computation·2019· 37 cited
<i>Compressing</i> the Four-Index Two-Electron Repulsion Integral Matrix using the Resolution-of-the-Identity Approximation Combined with the <i>Rank Factorization Approximation</i>
Journal of Chemical Theory and Computation·2019· 15 cited
Threading a path to exascale with chemical scissors and integral compressors in a singular manner
Iowa State University Digital Repository (Iowa State University)·2019Open Access
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Frequent Co-authors

Mark S. Gordon(12), Colleen Bertoni(8), Tosaporn Sattasathuchana(7), Melisa Alkan(7), Peng Xu(6), Mark S. Gordon(6), Dipayan Datta(5), Sarom S. Leang(5), Laura Carrington(3), Vladimir Mironov(3), Masha Sosonkina(3), Ananta Tiwari(3), Barbara Chapman(3), Johannes Doerfert(3), Óscar Hernández(3), Vivek Kale(3), Meifeng Lin(3), Swaroop Pophale(3), P. K. Yeung(3), Thanh N. Truong(3)