BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

129 related articles for article (PubMed ID: 37522404)

  • 1. Classical and quantum trial wave functions in auxiliary-field quantum Monte Carlo applied to oxygen allotropes and a CuBr2 model system.
    Amsler M; Deglmann P; Degroote M; Kaicher MP; Kiser M; Kühn M; Kumar C; Maier A; Samsonidze G; Schroeder A; Streif M; Vodola D; Wever C;
    J Chem Phys; 2023 Jul; 159(4):. PubMed ID: 37522404
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave Functions.
    Mahajan A; Sharma S
    J Chem Theory Comput; 2021 Aug; 17(8):4786-4798. PubMed ID: 34232637
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states.
    Purwanto W; Zhang S; Krakauer H
    J Chem Phys; 2009 Mar; 130(9):094107. PubMed ID: 19275396
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Twenty Years of Auxiliary-Field Quantum Monte Carlo in Quantum Chemistry: An Overview and Assessment on Main Group Chemistry and Bond-Breaking.
    Lee J; Pham HQ; Reichman DR
    J Chem Theory Comput; 2022 Dec; 18(12):7024-7042. PubMed ID: 36255074
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C
    Lee J; Malone FD; Morales MA
    J Chem Theory Comput; 2020 May; 16(5):3019-3027. PubMed ID: 32283932
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals.
    Kurian JS; Ye HZ; Mahajan A; Berkelbach TC; Sharma S
    J Chem Theory Comput; 2024 Jan; 20(1):134-142. PubMed ID: 38113195
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte Carlo.
    Mahajan A; Lee J; Sharma S
    J Chem Phys; 2022 May; 156(17):174111. PubMed ID: 35525646
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Singlet-Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo.
    Shee J; Arthur EJ; Zhang S; Reichman DR; Friesner RA
    J Chem Theory Comput; 2019 Sep; 15(9):4924-4932. PubMed ID: 31381324
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Benchmark Phaseless Auxiliary-Field Quantum Monte Carlo Method for Small Molecules.
    Sukurma Z; Schlipf M; Humer M; Taheridehkordi A; Kresse G
    J Chem Theory Comput; 2023 Aug; 19(15):4921-4934. PubMed ID: 37470356
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Expanding the Design Space of Constraints in Auxiliary-Field Quantum Monte Carlo.
    Weber JL; Vuong H; Friesner RA; Reichman DR
    J Chem Theory Comput; 2023 Nov; 19(21):7567-7576. PubMed ID: 37889331
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Toward Benchmark Quantum Chemistry for Transition Metals.
    Rudshteyn B; Weber JL; Coskun D; Devlaminck PA; Zhang S; Reichman DR; Shee J; Friesner RA
    J Chem Theory Comput; 2022 May; 18(5):2845-2862. PubMed ID: 35377642
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo.
    Motta M; Galli DE; Moroni S; Vitali E
    J Chem Phys; 2014 Jan; 140(2):024107. PubMed ID: 24437865
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Local Embedding and Effective Downfolding in the Auxiliary-Field Quantum Monte Carlo Method.
    Eskridge B; Krakauer H; Zhang S
    J Chem Theory Comput; 2019 Jul; 15(7):3949-3959. PubMed ID: 31244125
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Finite temperature auxiliary field quantum Monte Carlo in the canonical ensemble.
    Shen T; Liu Y; Yu Y; Rubenstein BM
    J Chem Phys; 2020 Nov; 153(20):204108. PubMed ID: 33261485
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo.
    Rudshteyn B; Coskun D; Weber JL; Arthur EJ; Zhang S; Reichman DR; Friesner RA; Shee J
    J Chem Theory Comput; 2020 May; 16(5):3041-3054. PubMed ID: 32293882
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Auxiliary field Quantum Monte Carlo for dilute neutrons on the lattice.
    Curry R; Dissanayake J; Gandolfi S; Gezerlis A
    Philos Trans A Math Phys Eng Sci; 2024 Jul; 382(2275):20230127. PubMed ID: 38910455
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A phaseless auxiliary-field quantum Monte Carlo perspective on the uniform electron gas at finite temperatures: Issues, observations, and benchmark study.
    Lee J; Morales MA; Malone FD
    J Chem Phys; 2021 Feb; 154(6):064109. PubMed ID: 33588535
    [TBL] [Abstract][Full Text] [Related]  

  • 18. ipie: A Python-Based Auxiliary-Field Quantum Monte Carlo Program with Flexibility and Efficiency on CPUs and GPUs.
    Malone FD; Mahajan A; Spencer JS; Lee J
    J Chem Theory Comput; 2023 Jan; 19(1):109-121. PubMed ID: 36503227
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A Localized-Orbital Energy Evaluation for Auxiliary-Field Quantum Monte Carlo.
    Weber JL; Vuong H; Devlaminck PA; Shee J; Lee J; Reichman DR; Friesner RA
    J Chem Theory Comput; 2022 Jun; 18(6):3447-3459. PubMed ID: 35507769
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An auxiliary-field quantum Monte Carlo study of the chromium dimer.
    Purwanto W; Zhang S; Krakauer H
    J Chem Phys; 2015 Feb; 142(6):064302. PubMed ID: 25681901
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.