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Buu Q. Pham
Buu Q. Pham
Verified email at iastate.edu
Title
Cited by
Cited by
Year
Recent developments in the general atomic and molecular electronic structure system
GMJ Barca, C Bertoni, L Carrington, D Datta, N De Silva, JE Deustua, ...
The Journal of chemical physics 152 (15), 2020
8422020
The 2D-to-3D geometry hopping in small boron clusters: The charge effect
HT Pham, L Van Duong, BQ Pham, MT Nguyen
Chemical Physics Letters 577, 32-37, 2013
842013
Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra
AJ Page, CP Chou, BQ Pham, HA Witek, S Irle, K Morokuma
Physical Chemistry Chemical Physics 15 (11), 3725-3735, 2013
562013
Hybrid distributed/shared memory model for the RI-MP2 method in the fragment molecular orbital framework
BQ Pham, MS Gordon
Journal of Chemical Theory and Computation 15 (10), 5252-5258, 2019
322019
OpenMP application experiences: Porting to accelerated nodes
S Bak, C Bertoni, S Boehm, R Budiardja, BM Chapman, J Doerfert, ...
Parallel Computing 109, 102856, 2022
272022
Can orbitals really be observed in scanning tunneling microscopy experiments?
BQ Pham, MS Gordon
The Journal of Physical Chemistry A 121 (26), 4851-4852, 2017
232017
Density functional theory study on mechanisms of epoxy‐phenol curing reaction
MP Pham, BQ Pham, LK Huynh, HQ Pham, MJ Marks, TN Truong
Journal of Computational Chemistry 35 (22), 1630-1640, 2014
222014
Development of the FMO/RI-MP2 fully analytic gradient using a hybrid-distributed/shared memory programming model
BQ Pham, MS Gordon
Journal of chemical theory and computation 16 (2), 1039-1054, 2020
192020
Electronic spin transitions in finite-size graphene
BQ Pham, TN Truong
Chemical Physics Letters 535, 75-79, 2012
162012
Compressing the four-index two-electron repulsion integral matrix using the resolution-of-the-identity approximation combined with the rank factorization approximation
BQ Pham, MS Gordon
Journal of Chemical Theory and Computation 15 (4), 2254-2264, 2019
152019
Size dependence of graphene chemistry: A computational study on CO desorption reaction
BQ Pham, VH Nguyen, TN Truong
Carbon 101, 16-21, 2016
142016
Porting fragmentation methods to graphical processing units using an OpenMP application programming interface: Offloading the Fock build for low angular momentum functions
BQ Pham, M Alkan, MS Gordon
Journal of Chemical Theory and Computation 19 (8), 2213-2221, 2023
102023
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Model (Part II)
B Chapman, B Pham, C Yang, C Daley, C Bertoni, D Kulkarni, ...
OpenMP: Enabling Massive Node-Level Parallelism: 17th International Workshop …, 2021
102021
Kinetics of the hydrogen abstraction ·C2H5 + alkane → C2H6 + alkyl reaction class: an application of the reaction class transition state theory
A Ratkiewicz, LK Huynh, QB Pham, TN Truong
Theoretical Chemistry Accounts 132, 1-17, 2013
92013
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method
BQ Pham, L Carrington, A Tiwari, SS Leang, M Alkan, C Bertoni, D Datta, ...
The Journal of Chemical Physics 158 (16), 2023
62023
Multi-level parallelization of quantum-chemical calculations
DG Fedorov, BQ Pham
The Journal of Chemical Physics 158 (16), 2023
62023
Outcomes of OpenMP Hackathon: OpenMP Application Experiences with the Offloading Mode
S Pophale, D Oryspayev, B Chapman, B Pham, C Yang, C Daley, ...
Brookhaven National Lab.(BNL), Upton, NY (United States), 2021
62021
Performance of the RI-MP2 fortran kernel of GAMESS on GPUs via directive-based offloading with math libraries
JH Kwack, C Bertoni, B Pham, J Larkin
Accelerator Programming Using Directives: 6th International Workshop, WACCPD …, 2020
62020
Thermodynamics and kinetics of graphene chemistry: a graphene hydrogenation prototype study
BQ Pham, MS Gordon
Physical Chemistry Chemical Physics 18 (48), 33274-33281, 2016
62016
Enabling Fortran standard parallelism in GAMESS for accelerated quantum chemistry calculations
M Alkan, BQ Pham, JR Hammond, MS Gordon
Journal of Chemical Theory and Computation, 2023
42023
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