Pham BQ - Search Results

1

Multi-level parallelization of quantum-chemical calculations.

Fedorov DG, Pham BQ. Fedorov DG, et al. Among authors: pham bq. J Chem Phys. 2023 Apr 28;158(16):164106. doi: 10.1063/5.0144917. J Chem Phys. 2023. PMID: 37098765

2

Recent developments in the general atomic and molecular electronic structure system.

Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, Li H, Li W, Lutz JJ, Magoulas I, Mato J, Mironov V, Nakata H, Pham BQ, Piecuch P, Poole D, Pruitt SR, Rendell AP, Roskop LB, Ruedenberg K, Sattasathuchana T, Schmidt MW, Shen J, Slipchenko L, Sosonkina M, Sundriyal V, Tiwari A, Galvez Vallejo JL, Westheimer B, Włoch M, Xu P, Zahariev F, Gordon MS. Barca GMJ, et al. Among authors: pham bq. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259

3

Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method.

Pham BQ, Carrington L, Tiwari A, Leang SS, Alkan M, Bertoni C, Datta D, Sattasathuchana T, Xu P, Gordon MS. Pham BQ, et al. J Chem Phys. 2023 Apr 28;158(16):164115. doi: 10.1063/5.0143424. J Chem Phys. 2023. PMID: 37114705

4

High-performance strategies for the recent MRSF-TDDFT in GAMESS.

Komarov K, Mironov V, Lee S, Pham BQ, Gordon MS, Choi CH. Komarov K, et al. Among authors: pham bq. J Chem Phys. 2023 May 21;158(19):194105. doi: 10.1063/5.0148005. J Chem Phys. 2023. PMID: 37184015

5

LibERI-A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism.

Alkan M, Pham BQ, Del Angel Cruz D, Hammond JR, Barnes TA, Gordon MS. Alkan M, et al. Among authors: pham bq. J Chem Phys. 2024 Aug 28;161(8):082501. doi: 10.1063/5.0215352. J Chem Phys. 2024. PMID: 39171700

6

Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra.

Page AJ, Chou CP, Pham BQ, Witek HA, Irle S, Morokuma K. Page AJ, et al. Among authors: pham bq. Phys Chem Chem Phys. 2013 Mar 21;15(11):3725-35. doi: 10.1039/c3cp00094j. Phys Chem Chem Phys. 2013. PMID: 23388654

7

Hybrid Distributed/Shared Memory Model for the RI-MP2 Method in the Fragment Molecular Orbital Framework.

Pham BQ, Gordon MS. Pham BQ, et al. J Chem Theory Comput. 2019 Oct 8;15(10):5252-5258. doi: 10.1021/acs.jctc.9b00409. Epub 2019 Sep 25. J Chem Theory Comput. 2019. PMID: 31509402

8

Development of the FMO/RI-MP2 Fully Analytic Gradient Using a Hybrid-Distributed/Shared Memory Programming Model.

Pham BQ, Gordon MS. Pham BQ, et al. J Chem Theory Comput. 2020 Feb 11;16(2):1039-1054. doi: 10.1021/acs.jctc.9b01082. Epub 2020 Jan 27. J Chem Theory Comput. 2020. PMID: 31899632

9

Porting Fragmentation Methods to Graphical Processing Units Using an OpenMP Application Programming Interface: Offloading the Fock Build for Low Angular Momentum Functions.

Pham BQ, Alkan M, Gordon MS. Pham BQ, et al. J Chem Theory Comput. 2023 Apr 25;19(8):2213-2221. doi: 10.1021/acs.jctc.2c01137. Epub 2023 Apr 3. J Chem Theory Comput. 2023. PMID: 37011288

10

Enabling Fortran Standard Parallelism in GAMESS for Accelerated Quantum Chemistry Calculations.

Alkan M, Pham BQ, Hammond JR, Gordon MS. Alkan M, et al. Among authors: pham bq. J Chem Theory Comput. 2023 Jul 11;19(13):3798-3805. doi: 10.1021/acs.jctc.3c00380. Epub 2023 Jun 21. J Chem Theory Comput. 2023. PMID: 37343236

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

24 results

Search Page

Filters