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 *

121 related articles for article (PubMed ID: 36641383)

  • 1. A coarse-grain reactive model of RDX: Molecular resolution at the μm scale.
    Lee BH; Sakano MN; Larentzos JP; Brennan JK; Strachan A
    J Chem Phys; 2023 Jan; 158(2):024702. PubMed ID: 36641383
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Bottom-up coarse-grain modeling of plasticity and nanoscale shear bands in α-RDX.
    Izvekov S; Rice BM
    J Chem Phys; 2021 Aug; 155(6):064503. PubMed ID: 34391357
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Unsupervised Learning-Based Multiscale Model of Thermochemistry in 1,3,5-Trinitro-1,3,5-triazinane (RDX).
    Sakano MN; Hamed A; Kober EM; Grilli N; Hamilton BW; Islam MM; Koslowski M; Strachan A
    J Phys Chem A; 2020 Nov; 124(44):9141-9155. PubMed ID: 33112131
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials.
    Brennan JK; Lísal M; Moore JD; Izvekov S; Schweigert IV; Larentzos JP
    J Phys Chem Lett; 2014 Jun; 5(12):2144-9. PubMed ID: 26270506
    [TBL] [Abstract][Full Text] [Related]  

  • 5. The Quasi-Coarse-Grained Dynamics Method to Unravel the Mesoscale Evolution of Defects/Damage during Shock Loading and Spall Failure of Polycrystalline Al Microstructures.
    Agarwal G; Valisetty RR; Namburu RR; Rajendran AM; Dongare AM
    Sci Rep; 2017 Sep; 7(1):12376. PubMed ID: 28959010
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Particle-based multiscale coarse graining with density-dependent potentials: application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine).
    Izvekov S; Chung PW; Rice BM
    J Chem Phys; 2011 Jul; 135(4):044112. PubMed ID: 21806095
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A coarse-grain force field for RDX: Density dependent and energy conserving.
    Moore JD; Barnes BC; Izvekov S; Lísal M; Sellers MS; Taylor DE; Brennan JK
    J Chem Phys; 2016 Mar; 144(10):104501. PubMed ID: 26979691
    [TBL] [Abstract][Full Text] [Related]  

  • 8. On the importance of shear dissipative forces in coarse-grained dynamics of molecular liquids.
    Izvekov S; Rice BM
    Phys Chem Chem Phys; 2015 Apr; 17(16):10795-804. PubMed ID: 25812678
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Revealing the thermal decomposition mechanism of RDX crystals by a neural network potential.
    Chu Q; Chang X; Ma K; Fu X; Chen D
    Phys Chem Chem Phys; 2022 Nov; 24(42):25885-25894. PubMed ID: 36259743
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Carbon cluster formation during thermal decomposition of octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine and 1,3,5-triamino-2,4,6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations.
    Zhang L; Zybin SV; van Duin AC; Dasgupta S; Goddard WA; Kober EM
    J Phys Chem A; 2009 Oct; 113(40):10619-40. PubMed ID: 19791809
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Investigating the Photochemical Decomposition of Solid 1,3,5-Trinitro-1,3,5-triazinane (RDX).
    Singh SK; Vuppuluri V; Son SF; Kaiser RI
    J Phys Chem A; 2020 Aug; 124(34):6801-6823. PubMed ID: 32786999
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Classical simulations from the atomistic to the mesoscale and back: coarse graining an liquid crystal.
    Peter C; Delle Site L; Kremer K
    Soft Matter; 2008 Mar; 4(4):859-869. PubMed ID: 32907192
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Performance of Coarse Graining in Estimating Polymer Properties: Comparison with the Atomistic Model.
    Miwatani R; Takahashi KZ; Arai N
    Polymers (Basel); 2020 Feb; 12(2):. PubMed ID: 32046337
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The solid phase thermal decomposition and nanocrystal effect of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) via ReaxFF large-scale molecular dynamics simulation.
    Zheng K; Wen Y; Huang B; Wang J; Chen J; Xie G; Lv G; Liu J; Qiao Z; Yang G
    Phys Chem Chem Phys; 2019 Aug; 21(31):17240-17252. PubMed ID: 31347632
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Deep convolutional neural networks for generating atomistic configurations of multi-component macromolecules from coarse-grained models.
    Christofi E; Chazirakis A; Chrysostomou C; Nicolaou MA; Li W; Doxastakis M; Harmandaris VA
    J Chem Phys; 2022 Nov; 157(18):184903. PubMed ID: 36379782
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Initial Decomposition Mechanism of 3-Nitro-1,2,4-triazol-5-one (NTO) under Shock Loading: ReaxFF Parameterization and Molecular Dynamic Study.
    Du L; Jin S; Nie P; She C; Wang J
    Molecules; 2021 Aug; 26(16):. PubMed ID: 34443396
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Reactive molecular dynamics simulation of thermal decomposition for nano-aluminized explosives.
    Mei Z; An Q; Zhao FQ; Xu SY; Ju XH
    Phys Chem Chem Phys; 2018 Nov; 20(46):29341-29350. PubMed ID: 30444501
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Mesoscale Simulation of Polymer Pyrolysis by Coarse-Grained Molecular Dynamics: A Parametric Study.
    Nguyen VP; Jeon I; Yang S; Choi ST
    ACS Appl Mater Interfaces; 2023 Jun; 15(25):30742-30755. PubMed ID: 37307299
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Pressure and Polymorph Dependent Thermal Decomposition Mechanism of Molecular Materials: A Case of 1,3,5,-Trinitro-1,3,5,-triazine.
    Wang C; Zhang C; Xue X
    J Phys Chem A; 2022 Feb; 126(4):463-472. PubMed ID: 35061375
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Shock-induced transformations in crystalline RDX: a uniaxial constant-stress Hugoniostat molecular dynamics simulation study.
    Bedrov D; Hooper JB; Smith GD; Sewell TD
    J Chem Phys; 2009 Jul; 131(3):034712. PubMed ID: 19624226
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.