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 *

203 related articles for article (PubMed ID: 33752343)

  • 1. Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems.
    Rossmannek M; Barkoutsos PK; Ollitrault PJ; Tavernelli I
    J Chem Phys; 2021 Mar; 154(11):114105. PubMed ID: 33752343
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. Cost-Effective Quantum Mechanical Approach for Predicting Thermodynamic and Mechanical Stability of Pure-Silica Zeolites.
    Cutini M; Civalleri B; Ugliengo P
    ACS Omega; 2019 Jan; 4(1):1838-1846. PubMed ID: 31459438
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach.
    Metcalf M; Bauman NP; Kowalski K; de Jong WA
    J Chem Theory Comput; 2020 Oct; 16(10):6165-6175. PubMed ID: 32915568
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Simulating Periodic Systems on a Quantum Computer Using Molecular Orbitals.
    Liu J; Wan L; Li Z; Yang J
    J Chem Theory Comput; 2020 Nov; 16(11):6904-6914. PubMed ID: 33073565
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Multiscale quantum algorithms for quantum chemistry.
    Ma H; Liu J; Shang H; Fan Y; Li Z; Yang J
    Chem Sci; 2023 Mar; 14(12):3190-3205. PubMed ID: 36970085
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Constrained Variational Quantum Eigensolver: Quantum Computer Search Engine in the Fock Space.
    Ryabinkin IG; Genin SN; Izmaylov AF
    J Chem Theory Comput; 2019 Jan; 15(1):249-255. PubMed ID: 30512959
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers.
    Rossmannek M; Pavošević F; Rubio A; Tavernelli I
    J Phys Chem Lett; 2023 Apr; 14(14):3491-3497. PubMed ID: 37011400
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications.
    Benfenati F; Mazzola G; Capecci C; Barkoutsos PK; Ollitrault PJ; Tavernelli I; Guidoni L
    J Chem Theory Comput; 2021 Jul; 17(7):3946-3954. PubMed ID: 34077220
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states.
    Chan HHS; Fitzpatrick N; Segarra-Martí J; Bearpark MJ; Tew DP
    Phys Chem Chem Phys; 2021 Dec; 23(46):26438-26450. PubMed ID: 34806097
    [No Abstract]   [Full Text] [Related]  

  • 12. Orthogonal State Reduction Variational Eigensolver for the Excited-State Calculations on Quantum Computers.
    Xie QX; Liu S; Zhao Y
    J Chem Theory Comput; 2022 Jun; 18(6):3737-3746. PubMed ID: 35621354
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL
    Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Chemistry beyond the Hartree-Fock energy via quantum computed moments.
    Jones MA; Vallury HJ; Hill CD; Hollenberg LCL
    Sci Rep; 2022 May; 12(1):8985. PubMed ID: 35643811
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Projection-Based Wavefunction-in-DFT Embedding.
    Lee SJR; Welborn M; Manby FR; Miller TF
    Acc Chem Res; 2019 May; 52(5):1359-1368. PubMed ID: 30969117
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantum computing in pharma: A multilayer embedding approach for near future applications.
    Izsák R; Riplinger C; Blunt NS; de Souza B; Holzmann N; Crawford O; Camps J; Neese F; Schopf P
    J Comput Chem; 2023 Jan; 44(3):406-421. PubMed ID: 35789492
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations.
    Nattino F; Dupont C; Marzari N; Andreussi O
    J Chem Theory Comput; 2019 Nov; 15(11):6313-6322. PubMed ID: 31580667
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Analytical Formulation of the Second-Order Derivative of Energy for the Orbital-Optimized Variational Quantum Eigensolver: Application to Polarizability.
    Nakagawa YO; Chen J; Sudo S; Ohnishi YY; Mizukami W
    J Chem Theory Comput; 2023 Apr; 19(7):1998-2009. PubMed ID: 36975107
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Reducing Circuit Depth in Adaptive Variational Quantum Algorithms via Effective Hamiltonian Theories.
    Liu J; Li Z; Yang J
    J Chem Theory Comput; 2022 Aug; 18(8):4795-4805. PubMed ID: 35792931
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree-Fock Calculations.
    Sugisaki K; Nakazawa S; Toyota K; Sato K; Shiomi D; Takui T
    ACS Cent Sci; 2019 Jan; 5(1):167-175. PubMed ID: 30693335
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.