These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

123 related articles for article (PubMed ID: 26574246)

  • 1. Ab initio interactive molecular dynamics on graphical processing units (GPUs).
    Luehr N; Jin AG; Martínez TJ
    J Chem Theory Comput; 2015 Oct; 11(10):4536-44. PubMed ID: 26574246
    [TBL] [Abstract][Full Text] [Related]  

  • 2. InteraChem: Exploring Excited States in Virtual Reality with
    Wang Y; Seritan S; Lahana D; Ford JE; Valentini A; Hohenstein EG; Martínez TJ
    J Chem Theory Comput; 2022 Jun; 18(6):3308-3317. PubMed ID: 35649124
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics.
    Ufimtsev IS; Martinez TJ
    J Chem Theory Comput; 2009 Oct; 5(10):2619-28. PubMed ID: 26631777
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum supercharger library: hyper-parallel integral derivatives algorithms for ab initio QM/MM dynamics.
    Renison CA; Fernandes KD; Naidoo KJ
    J Comput Chem; 2015 Jul; 36(18):1410-9. PubMed ID: 25975864
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J
    J Phys Condens Matter; 2008 Feb; 20(6):060301. PubMed ID: 21693862
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Efficient implementation of effective core potential integrals and gradients on graphical processing units.
    Song C; Wang LP; Sachse T; Preiss J; Presselt M; Martínez TJ
    J Chem Phys; 2015 Jul; 143(1):014114. PubMed ID: 26156472
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units.
    Yoshikawa T; Nakai H
    J Comput Chem; 2015 Jan; 36(3):164-70. PubMed ID: 25392975
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ab initio molecular dynamics using hybrid density functionals.
    Guidon M; Schiffmann F; Hutter J; VandeVondele J
    J Chem Phys; 2008 Jun; 128(21):214104. PubMed ID: 18537412
    [TBL] [Abstract][Full Text] [Related]  

  • 9. WebMTA: a web-interface for ab initio geometry optimization of large molecules using molecular tailoring approach.
    Kavathekar R; Khire S; Ganesh V; Rahalkar AP; Gadre SR
    J Comput Chem; 2009 May; 30(7):1167-73. PubMed ID: 18942724
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Acceleration of the GAMESS-UK electronic structure package on graphical processing units.
    Wilkinson KA; Sherwood P; Guest MF; Naidoo KJ
    J Comput Chem; 2011 Jul; 32(10):2313-8. PubMed ID: 21541963
    [TBL] [Abstract][Full Text] [Related]  

  • 11. TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units.
    Seritan S; Bannwarth C; Fales BS; Hohenstein EG; Kokkila-Schumacher SIL; Luehr N; Snyder JW; Song C; Titov AV; Ufimtsev IS; Martínez TJ
    J Chem Phys; 2020 Jun; 152(22):224110. PubMed ID: 32534542
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics.
    Stocks R; Palethorpe E; Barca GMJ
    J Chem Theory Comput; 2024 Sep; 20(17):7503-7515. PubMed ID: 39192710
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hybrid CPU/GPU Integral Engine for Strong-Scaling Ab Initio Methods.
    Kussmann J; Ochsenfeld C
    J Chem Theory Comput; 2017 Jul; 13(7):3153-3159. PubMed ID: 28636392
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics.
    Zheng M; Li X; Guo L
    J Mol Graph Model; 2013 Apr; 41():1-11. PubMed ID: 23454611
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language.
    Johnson KG; Mirchandaney S; Hoag E; Heirich A; Aiken A; Martínez TJ
    J Chem Theory Comput; 2022 Nov; 18(11):6522-6536. PubMed ID: 36200649
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Ab initio quantum chemistry for protein structures.
    Kulik HJ; Luehr N; Ufimtsev IS; Martinez TJ
    J Phys Chem B; 2012 Oct; 116(41):12501-9. PubMed ID: 22974088
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs).
    Luehr N; Ufimtsev IS; Martínez TJ
    J Chem Theory Comput; 2011 Apr; 7(4):949-54. PubMed ID: 26606344
    [TBL] [Abstract][Full Text] [Related]  

  • 18. TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations.
    Seritan S; Thompson K; Martínez TJ
    J Chem Inf Model; 2020 Apr; 60(4):2126-2137. PubMed ID: 32267693
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Multiple-Time Step Ab Initio Molecular Dynamics Based on Two-Electron Integral Screening.
    Fatehi S; Steele RP
    J Chem Theory Comput; 2015 Mar; 11(3):884-98. PubMed ID: 26579742
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program.
    Manathunga M; Jin C; Cruzeiro VWD; Miao Y; Mu D; Arumugam K; Keipert K; Aktulga HM; Merz KM; Götz AW
    J Chem Theory Comput; 2021 Jul; 17(7):3955-3966. PubMed ID: 34062061
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.