Paul Kent Publications By Subject

Quantum Monte Carlo

Publications either using or about Quantum Monte Carlo. There is also a complete list of publications.

1. “Dynamic load balancing for petascale quantum monte carlo applications: The alias method”. C. D. Sudheer, S. Krishnan, A. Srinivasan, and P. R. C. Kent. Submitted to Journal of Computational Physics (2012).
2. “Diffusion Quantum Monte Carlo study of the equation of state and point defects in aluminium”. R. Q. Hood, P. R. C. Kent, and F. A. Reboredo. Submitted (2011).
3. “Simple impurity embedded in a spherical jellium: Approximations of density functional theory compared to quantum Monte Carlo benchmarks”. M. Bajdich, P. R. C. Kent, J. Kim, F. A. Reboredo. Physical Review B 84 075131 (2011).
4. “Quantum Monte Carlo Calculations of dihydrogen binding energetics on Ca cations: an assessment of errors in density functionals for weakly bonded systems”. M. Bajdich, F. A. Reboredo, and P. R. C. Kent. Physical Review B (Rapid Communications) 82 081405 (2010).
5. “Systematic reduction of sign errors in many-body calculations of atoms and molecules”. M. Bajdich, M. L. Tiago, R. Q. Hood, P. R. C. Kent, and F. A. Reboredo. Physical Review Letters 104 193001 (2010).
6. “A fast and efficient algorithm for Slater determinant updates in Quantum Monte Carlo simulations”. Phani K. V. V. Nukala and P. R. C. Kent. J. Chem. Phys. 130 204105 (2009).
7. “Self-healing diffusion quantum Monte Carlo algorithms: direct reduction of the fermion sign error in electronic structure calculations”. F. A. Reboredo, R. Q. Hood, and P. R. C. Kent. Physical Review B 79 195117 (2009).
8. “New algorithm to enable 400+ TFlop/s sustained performance in simulations of disorder effects in high-Tc superconductors”. G. Alvarez, M. S. Summers, D. E. Maxwell, M. Eisenbach, J. S. Meredith, J. M. Larkin, J. Levesque, T. A. Maier, P. R. C. Kent, E. F. D'Azevedo, and T. C. Schulthess. Proceedings of the 2008 ACM/IEEE conference on Supercomputing (2008).
9. “Quantum Monte Carlo algorithms for electronic structure at the petascale; the endstation project”. Kenneth P. Esler, Jeongnim Kim, David M. Ceperley, Wirawan Purwanto, Eric J. Walter, Henry Krakauer, Shiwei Zhang, P. R. C. Kent, Richard G. Hennig, Cyrus Umrigar, Michal Bajdich, Jindrich Kolorenc, Lubos Mitas, Ashok Srinivasan. Journal of Physics: Conference Series 125 012057 (2008).
10. “Neutral and charged excitations in carbon fullerenes from first-principles many-body theories”. Murilo L. Tiago, P.R.C. Kent, Randolph Q. Hood, and Fernando A. Reboredo. Journal of Chemical Physics 129 084311 (2008).
11. “Density-density functionals and effective potentials in many-body electronic structure calculations”. F. A. Reboredo and P. R. C. Kent. Physical Review B 77 245110 (2008).
12. “Charge density wave driven ferromagnetism in the Periodic Anderson Model”. M. A. Majidi, D. G. S. P. Doluweera, B. Moritz, P. R. C. Kent, J. Moreno, M. Jarrell. Submitted to Physical Review Letters (2007).
13. “Combined density functional and dynamical cluster quantum Monte Carlo calculations of the three-band Hubbard model for hole-doped cuprate superconductors ”. P. R. C. Kent, T. Saha-Dasgupta, O. Jepsen, O. K. Andersen, A. Macridin, T. A. Maier, M. Jarrell and T. C. Schulthess. Physical Review B 78 035132 (2008).
14. “Pseudogap and antiferromagnetic correlations in the Hubbard model”. Alexandru Macridin, Mark Jarrell, Thomas Maier, P.R.C. Kent, Eduardo D'Azevedo. Physical Review Letters 97 036401 (2006). Adobe PDF preprint [416KB].
15. “New insights into high temperature superconductivity from a computational solution of the two-dimensional Hubbard model”. T. A. Maier, J. B. White, M. Jarrell, P. Kent, and T. C. Schulthess. J. Phys.: Conf. Ser. 16 257 (2005). Adobe PDF [540KB].
16. “Efficient calculation of the antiferromagnetic phase diagram of the 3D Hubbard model”. P.R.C. Kent, M. Jarrell, T. A. Maier, Th. Pruschke. Physical Review B (Rapid Communications) 72 060411 (2005). Adobe PDF [72KB].
17. “A systematic study of superconductivity in the 2D Hubbard model”. T. A. Maier, M. Jarrell, T. C. Schulthess, P. R. C. Kent, J. B. White. Physical Review Letters 95 237001 (2005). Adobe PDF preprint [172KB].
18. “Quantum Monte Carlo Study of the Optical and Diffusive Properties of the Vacancy Defect in Diamond”. Randolph Q. Hood, P. R. C. Kent, R. J. Needs, and P. R. Briddon. Physical Review Letters 91 076403 (2003). Adobe PDF [90KB].
19. “Quantum Monte Carlo calculations for ground and excited states”. R. J. Needs, P. R. C. Kent, A. R. Porter, M. D. Towler, and G. Rajagopal. International Journal of Quantum Chemistry 86 218 (2001).
20. “Carbon clusters near the crossover to fullerene stability”. P. R. C. Kent, M. D. Towler, R. J. Needs, and G. Rajagopal. Physical Review B 62 15394 (2000). Adobe PDF [54KB].
21. “CASINO version 1.0 User's Manual”. R. J. Needs, G. Rajagopal, M. D. Towler, P. R. C. Kent, and A. J. Williamson. University of Cambridge, Cambridge (2000).
22. “Development and performance of a mixed OpenMP/MPI quantum Monte Carlo code”. Lorna Smith and Paul Kent. Concurrency: Practice and Experience 12 1121 (2000).
23. “Pseudopotentials for correlated-electron calculations”. Y. Lee, P. R. C. Kent, M. D. Towler, R. J. Needs, and G. Rajagopal. Physical Review B 62 13347 (2000). Adobe PDF [97KB].
24. “Monte Carlo energy and variance-minimization techniques for optimizing many-body wave functions”. P. R. C. Kent, R. J. Needs, and G. Rajagopal . Physical Review B 59 12344 (1999). Adobe PDF [156KB].
25. “Finite-size errors in quantum many-body simulations of extended systems”. P. R. C. Kent, Randolph Q. Hood, A. J. Williamson, R. J. Needs, W. M. C. Foulkes, and G. Rajagopal. Physical Review B 59 1917 (1999). Adobe PDF [213KB].
26. “Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon”. P. R. C. Kent, Randolph Q. Hood, M. D. Towler, R. J. Needs, and G. Rajagopal. Physical Review B 57 15293 (1998). Adobe PDF [217KB].
27. “Quantum Monte Carlo Calculations of real solids”. W.M.C. Foulkes, M. Nekovee, R.L. Gaudoin, M.L. Stedman, R.J. Needs, R.Q. Hood, G. Rajagopal, M.D. Towler, P.R.C. Kent, Y. Lee, W.-K. Leung, A.R. Porter and S.J. Breuer. In "High Performance Computing", Plenum press (1998). Adobe PDF [208KB].