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 *

195 related articles for article (PubMed ID: 32665540)

  • 1. Machine learning accurate exchange and correlation functionals of the electronic density.
    Dick S; Fernandez-Serra M
    Nat Commun; 2020 Jul; 11(1):3509. PubMed ID: 32665540
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Learning to Approximate Density Functionals.
    Kalita B; Li L; McCarty RJ; Burke K
    Acc Chem Res; 2021 Feb; 54(4):818-826. PubMed ID: 33534553
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Bridging electronic and classical density-functional theory using universal machine-learned functional approximations.
    Kelley MM; Quinton J; Fazel K; Karimitari N; Sutton C; Sundararaman R
    J Chem Phys; 2024 Oct; 161(14):. PubMed ID: 39377323
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Machine Learning Density Functionals from the Random-Phase Approximation.
    Riemelmoser S; Verdi C; Kaltak M; Kresse G
    J Chem Theory Comput; 2023 Oct; 19(20):7287-7299. PubMed ID: 37800677
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?
    Verma P; Truhlar DG
    Phys Chem Chem Phys; 2017 May; 19(20):12898-12912. PubMed ID: 28474021
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Bypassing the Kohn-Sham equations with machine learning.
    Brockherde F; Vogt L; Li L; Tuckerman ME; Burke K; Müller KR
    Nat Commun; 2017 Oct; 8(1):872. PubMed ID: 29021555
    [TBL] [Abstract][Full Text] [Related]  

  • 7. MN15-L: A New Local Exchange-Correlation Functional for Kohn-Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids.
    Yu HS; He X; Truhlar DG
    J Chem Theory Comput; 2016 Mar; 12(3):1280-93. PubMed ID: 26722866
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Multicomponent density functional theory embedding formulation.
    Culpitt T; Brorsen KR; Pak MV; Hammes-Schiffer S
    J Chem Phys; 2016 Jul; 145(4):044106. PubMed ID: 27475347
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics.
    Peverati R; Truhlar DG
    Philos Trans A Math Phys Eng Sci; 2014 Mar; 372(2011):20120476. PubMed ID: 24516178
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Predicting bond dissociation energy and bond length for bimetallic diatomic molecules: a challenge for electronic structure theory.
    Bao JL; Zhang X; Xu X; Truhlar DG
    Phys Chem Chem Phys; 2017 Feb; 19(8):5839-5854. PubMed ID: 28177019
    [TBL] [Abstract][Full Text] [Related]  

  • 11. 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]  

  • 12. Orbital- and state-dependent functionals in density-functional theory.
    Görling A
    J Chem Phys; 2005 Aug; 123(6):62203. PubMed ID: 16122289
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Variational principle to regularize machine-learned density functionals: The non-interacting kinetic-energy functional.
    Mazo-Sevillano PD; Hermann J
    J Chem Phys; 2023 Nov; 159(19):. PubMed ID: 37971033
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Embedded correlated wavefunction schemes: theory and applications.
    Libisch F; Huang C; Carter EA
    Acc Chem Res; 2014 Sep; 47(9):2768-75. PubMed ID: 24873211
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Employing neural density functionals to generate potential energy surfaces.
    Jijila B; Nirmala V; Selvarengan P; Kavitha D; Arun Muthuraj V; Rajagopal A
    J Mol Model; 2024 Feb; 30(3):65. PubMed ID: 38340208
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.
    Chai JD
    J Chem Phys; 2017 Jan; 146(4):044102. PubMed ID: 28147520
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Self-Interaction Error in Density Functional Theory: An Appraisal.
    Bao JL; Gagliardi L; Truhlar DG
    J Phys Chem Lett; 2018 May; 9(9):2353-2358. PubMed ID: 29624392
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Functional-Based Description of Electronic Dynamic and Strong Correlation: Old Issues and New Insights.
    Ai W; Fang WH; Su NQ
    J Phys Chem Lett; 2022 Feb; 13(7):1744-1751. PubMed ID: 35157451
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Efficient real space formalism for hybrid density functionals.
    Jing X; Suryanarayana P
    J Chem Phys; 2024 Aug; 161(8):. PubMed ID: 39206826
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Subsystem Density Functional Theory Augmented by a Delta Learning Approach to Achieve Kohn-Sham Accuracy.
    Pauletti M; Rybkin VV; Iannuzzi M
    J Chem Theory Comput; 2021 Oct; 17(10):6423-6431. PubMed ID: 34505765
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.