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 *

129 related articles for article (PubMed ID: 27766830)

  • 1. Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.
    Brieuc F; Bronstein Y; Dammak H; Depondt P; Finocchi F; Hayoun M
    J Chem Theory Comput; 2016 Dec; 12(12):5688-5697. PubMed ID: 27766830
    [TBL] [Abstract][Full Text] [Related]  

  • 2. The Fluctuation-Dissipation Theorem as a Diagnosis and Cure for Zero-Point Energy Leakage in Quantum Thermal Bath Simulations.
    Mangaud E; Huppert S; Plé T; Depondt P; Bonella S; Finocchi F
    J Chem Theory Comput; 2019 May; 15(5):2863-2880. PubMed ID: 30939002
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Quantum Thermal Bath for Path Integral Molecular Dynamics Simulation.
    Brieuc F; Dammak H; Hayoun M
    J Chem Theory Comput; 2016 Mar; 12(3):1351-9. PubMed ID: 26799437
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Computing Wigner distributions and time correlation functions using the quantum thermal bath method: application to proton transfer spectroscopy.
    Basire M; Borgis D; Vuilleumier R
    Phys Chem Chem Phys; 2013 Aug; 15(30):12591-601. PubMed ID: 23783066
    [TBL] [Abstract][Full Text] [Related]  

  • 5. On the Use of Quantum Thermal Bath in Unimolecular Fragmentation Simulation.
    Spezia R; Dammak H
    J Phys Chem A; 2019 Oct; 123(40):8542-8551. PubMed ID: 31509415
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Atomistic modeling of vibrational action spectra in polyatomic molecules: nuclear quantum effects.
    Calvo F; Falvo C; Parneix P
    J Phys Chem A; 2014 Jul; 118(29):5427-36. PubMed ID: 24955891
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Application of classical simulations for the computation of vibrational properties of free molecules.
    Tikhonov DS; Sharapa DI; Schwabedissen J; Rybkin VV
    Phys Chem Chem Phys; 2016 Oct; 18(40):28325-28338. PubMed ID: 27722605
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Applicability of Quantum Thermal Baths to Complex Many-Body Systems with Various Degrees of Anharmonicity.
    Hernández-Rojas J; Calvo F; Noya EG
    J Chem Theory Comput; 2015 Mar; 11(3):861-70. PubMed ID: 26579740
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum effects in graphene monolayers: Path-integral simulations.
    Herrero CP; Ramírez R
    J Chem Phys; 2016 Dec; 145(22):224701. PubMed ID: 27984912
    [TBL] [Abstract][Full Text] [Related]  

  • 10. First-principles study of non-linear thermal expansion in cadmium titanate by molecular dynamics incorporating nuclear quantum effects.
    Kanayama K; Toyoura K
    J Phys Condens Matter; 2024 Aug; 36(44):. PubMed ID: 39074498
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Thermal properties of graphene from path-integral simulations.
    Herrero CP; Ramírez R
    J Chem Phys; 2018 Mar; 148(10):102302. PubMed ID: 29544269
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Quantum
    Angiolari F; Huppert S; Spezia R
    Phys Chem Chem Phys; 2022 Dec; 24(48):29357-29370. PubMed ID: 36448557
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid water.
    Habershon S; Manolopoulos DE
    J Chem Phys; 2009 Dec; 131(24):244518. PubMed ID: 20059090
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations.
    Dammak H; Antoshchenkova E; Hayoun M; Finocchi F
    J Phys Condens Matter; 2012 Oct; 24(43):435402. PubMed ID: 23034812
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Path-integral simulation of graphene monolayers under tensile stress.
    Herrero CP; Ramírez R
    Phys Chem Chem Phys; 2017 Dec; 19(47):31898-31909. PubMed ID: 29177277
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.
    Sakurai A; Tanimura Y
    J Phys Chem A; 2011 Apr; 115(16):4009-22. PubMed ID: 21247206
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Path-integral study of a two-dimensional Lennard-Jones glass.
    Ballone P; Montanari B
    Phys Rev E Stat Nonlin Soft Matter Phys; 2002 Jun; 65(6 Pt 2):066704. PubMed ID: 12188865
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath.
    Mauger N; Plé T; Lagardère L; Bonella S; Mangaud É; Piquemal JP; Huppert S
    J Phys Chem Lett; 2021 Sep; 12(34):8285-8291. PubMed ID: 34427440
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Langevin model of the temperature and hydration dependence of protein vibrational dynamics.
    Moritsugu K; Smith JC
    J Phys Chem B; 2005 Jun; 109(24):12182-94. PubMed ID: 16852503
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Modeling, calculating, and analyzing multidimensional vibrational spectroscopies.
    Tanimura Y; Ishizaki A
    Acc Chem Res; 2009 Sep; 42(9):1270-9. PubMed ID: 19441802
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.