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 *

147 related articles for article (PubMed ID: 35919729)

  • 1. Deep neural network based quantum simulations and quasichemical theory for accurate modeling of molten salt thermodynamics.
    Shi Y; Lam ST; Beck TL
    Chem Sci; 2022 Jul; 13(28):8265-8273. PubMed ID: 35919729
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Modeling LiF and FLiBe Molten Salts with Robust Neural Network Interatomic Potential.
    Lam ST; Li QJ; Ballinger R; Forsberg C; Li J
    ACS Appl Mater Interfaces; 2021 Jun; 13(21):24582-24592. PubMed ID: 34019760
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Exploring Cr and molten salt interfacial interactions for molten salt applications.
    Liu X; Liu Y; Gibson LD; Ge M; Olds D; Leshchev D; Bai J; Plonka AM; Halstenberg P; Zhong H; Ghose S; Lin CH; Zheng X; Xiao X; Lee WK; Dai S; Samolyuk GD; Bryantsev VS; Frenkel AI; Chen-Wiegart YK
    Phys Chem Chem Phys; 2024 Aug; 26(32):21342-21356. PubMed ID: 38829308
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single-ion solvation free energy scale.
    Carvalho NF; Pliego JR
    Phys Chem Chem Phys; 2015 Oct; 17(40):26745-55. PubMed ID: 26395146
    [TBL] [Abstract][Full Text] [Related]  

  • 5. First-principles molten salt phase diagrams through thermodynamic integration.
    Shah T; Fazel K; Lian J; Huang L; Shi Y; Sundararaman R
    J Chem Phys; 2023 Sep; 159(12):. PubMed ID: 38127398
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Redox potentials in ionic liquids: Anomalous behavior?
    Renfro CA; Hymel JH; McDaniel JG
    J Chem Phys; 2024 May; 160(20):. PubMed ID: 38808746
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.
    Gomez DT; Pratt LR; Asthagiri DN; Rempe SB
    Acc Chem Res; 2022 Aug; 55(16):2201-2212. PubMed ID: 35829622
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Length scales and interfacial potentials in ion hydration.
    Shi Y; Beck TL
    J Chem Phys; 2013 Jul; 139(4):044504. PubMed ID: 23901990
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Quasi-chemical theory of F
    Chaudhari MI; Rempe SB; Pratt LR
    J Chem Phys; 2017 Oct; 147(16):161728. PubMed ID: 29096480
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Thermodynamics of Hydration from the Perspective of the Molecular Quasichemical Theory of Solutions.
    Asthagiri DN; Paulaitis ME; Pratt LR
    J Phys Chem B; 2021 Aug; 125(30):8294-8304. PubMed ID: 34313434
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab initio molecular dynamics and quasichemical study of H+(aq).
    Asthagiri D; Pratt LR; Kress JD
    Proc Natl Acad Sci U S A; 2005 May; 102(19):6704-8. PubMed ID: 15831590
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Absolute single-ion solvation free energy scale in methanol determined by the lithium cluster-continuum approach.
    Pliego JR; Miguel EL
    J Phys Chem B; 2013 May; 117(17):5129-35. PubMed ID: 23570440
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Improving the reliability of machine learned potentials for modeling inhomogeneous liquids.
    Fazel K; Karimitari N; Shah T; Sutton C; Sundararaman R
    J Comput Chem; 2024 Aug; 45(21):1821-1828. PubMed ID: 38662330
    [TBL] [Abstract][Full Text] [Related]  

  • 15. AL4GAP: Active learning workflow for generating DFT-SCAN accurate machine-learning potentials for combinatorial molten salt mixtures.
    Guo J; Woo V; Andersson DA; Hoyt N; Williamson M; Foster I; Benmore C; Jackson NE; Sivaraman G
    J Chem Phys; 2023 Jul; 159(2):. PubMed ID: 37428051
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum mechanical continuum solvation models for ionic liquids.
    Bernales VS; Marenich AV; Contreras R; Cramer CJ; Truhlar DG
    J Phys Chem B; 2012 Aug; 116(30):9122-9. PubMed ID: 22734466
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
    Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
    J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Deep-Learning Interatomic Potential Connects Molecular Structural Ordering to the Macroscale Properties of Polyacrylonitrile.
    Chahal R; Toomey MD; Kearney LT; Sedova A; Damron JT; Naskar AK; Roy S
    ACS Appl Mater Interfaces; 2024 Jul; 16(28):36878-36891. PubMed ID: 38958640
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Metadynamics combined with auxiliary density functional and density functional tight-binding methods: alanine dipeptide as a case study.
    Cuny J; Korchagina K; Menakbi C; Mineva T
    J Mol Model; 2017 Mar; 23(3):72. PubMed ID: 28204939
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Benchmarking Force Field and the ANI Neural Network Potentials for the Torsional Potential Energy Surface of Biaryl Drug Fragments.
    Lahey SJ; Thien Phuc TN; Rowley CN
    J Chem Inf Model; 2020 Dec; 60(12):6258-6268. PubMed ID: 33263401
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.