Publications

Research papers

In preparation

• Chemical accuracy by combined extrapolation of quantum Monte Carlo energies
  M. Hosseini, P. López Ríos, and A. Alavi
  
  
• Backflow transformations for solid molecular hydrogen at high pressure
  P. López Ríos, R. Maezono, N. D. Drummond, and R. J. Needs
  
  
• Control variate method for the evaluation of vibrational expectation values
  P. López Ríos and R. J. Needs
  
  
• Ground-state energies and the correlation energy functional for the uniform electron gas
  J. J. Shepherd, P. López Ríos, R. J. Needs, N. D. Drummond, and A. Alavi
  
  
• Orbital-dependent backflow transformations for quantum Monte Carlo
  P. Seth, P. López Ríos, and R. J. Needs
  
  

Published

• Variational and diffusion quantum Monte Carlo calculations with the CASINO code
  R. J. Needs, M. D. Towler, N. D. Drummond, P. López Ríos, and J. R. Trail
  J. Chem. Phys. 152, 154106 (2020) [arXiv:2003.06506] [Open Data]
  
  
• Tail-regression estimator for heavy-tailed distributions of known tail indices and its application to continuum quantum Monte Carlo data
  P. López Ríos and G. J. Conduit
  Phys. Rev. E 99, 063312 (2019) [arXiv:1903.07684] [Open Data] [Code]
  
  
• Correlation energies of the high-density spin-polarized electron gas to meV accuracy
  M. Ruggeri, P. López Ríos, and A. Alavi
  Phys. Rev. B 98, 161105(R) (2018) [arXiv:1804.04938]
  
  
• Structure and metallicity of phase V of hydrogen
  B. Monserrat, N. D. Drummond, P. Dalladay-Simpson, R. T. Howie, P. López Ríos, E. Gregoryanz, C. J. Pickard, and R. J. Needs
  Phys. Rev. Lett. 120, 255701 (2018) [arXiv:1806.03025] [Open Data]
  
  
• Evidence from quantum Monte Carlo of large-gap superfluidity and BCS-BEC crossover in double electron-hole layers
  P. López Ríos, A. Perali, R. J. Needs, and D. Neilson
  Phys. Rev. Lett. 120, 177701 (2018) [arXiv:1710.06863] [Open Data]
  
  
• Stochastic sampling of quadrature grids for the evaluation of vibrational expectation values
  P. López Ríos, B. Monserrat, and R. J. Needs
  Phys. Rev. B 97, 054104 (2018) [arXiv:1711.06265] [Open Data] [Code]
  
  
• Quantum Monte Carlo study of the energetics of the rutile, anatase, brookite, and columbite TiO₂ polymorphs
  J. R. Trail, B. Monserrat, P. López Ríos, R. Maezono, and R. J. Needs
  Phys. Rev. B 95, 121108(R) (2017) [arXiv:1610.08992] [Open Data]
  
  
• Energetics of H₂ clusters from density functional and coupled cluster theories
  J. R. Trail, P. López Ríos, and R. J. Needs
  Phys. Rev. B 95, 115116 (2017) [arXiv:1611.00371] [Open Data]
  
  
• Trion formation in a two-dimensional hole-doped electron gas
  G. G. Spink, P. López Ríos, N. D. Drummond, and R. J. Needs
  Phys. Rev. B 94, 041410(R) (2016) [arXiv:1505.07411] [Open Data]
  
  
• Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
  N. D. Drummond, B. Monserrat, J. H. Lloyd-Williams, P. López Ríos, C. J. Pickard, and R. J. Needs
  Nat. Commun. 6, 7794 (2015) [arXiv:1508.02313] [Open Data]
  
  
• High-fidelity pseudopotentials for the contact interaction
  P. O. Bugnion, P. López Ríos, R. J. Needs, and G. J. Conduit
  Phys. Rev. A 90, 033626 (2014) [arXiv:1403.0047]
  
  
• Compression algorithm for multi-determinant wave functions
  G. L. Weerasinghe, P. López Ríos, and R. J. Needs
  Phys. Rev. E 89, 023304 (2014) [arXiv:1311.3697] [Code]
  
  
• Quantum Monte Carlo Studies of 13-atom Simple Metallic Clusters
  C. R. Hsing, P. López Ríos, R. J. Needs, and C. M. Wei
  Phys. Rev. B 88, 165412 (2013)
  
  
• Excitons and biexcitons in symmetric electron-hole bilayers
  R. Maezono, P. López Ríos, T. Ogawa, and R. J. Needs
  Phys. Rev. Lett. 110, 216407 (2013) [arXiv:1309.2091]
  
  
• Optical recombination of biexcitons in semiconductors
  M. Bauer, J. Keeling, M. M. Parish, P. López Ríos, and P. B. Littlewood
  Phys. Rev. B 87, 035302 (2013) [arXiv:1102.4997]
  
  
• Framework for constructing generic Jastrow correlation factors
  P. López Ríos, P. Seth, N. D. Drummond, and R. J. Needs
  Phys. Rev. E 86, 036703 (2012) [arXiv:1207.3371]
  
  
• Quantum Monte Carlo study of a positron in an electron gas
  N. D. Drummond, P. López Ríos, R. J. Needs, and C. J. Pickard
  Phys. Rev. Lett. 107, 207402 (2011) [arXiv:1104.5441]
  
  
• Quantum Monte Carlo study of the first-row atoms and ions
  P. Seth, P. López Ríos, and R. J. Needs
  J. Chem. Phys. 134, 084105 (2011) [arXiv:1012.0709]
  
  
• Strategies for improving the efficiency of quantum Monte Carlo calculations
  R. M. Lee, G. J. Conduit, N. Nemec, P. López Ríos, and N. D. Drummond
  Phys. Rev. E 83, 066706 (2011) [arXiv:1006.1798]
  [Erratum]
  
  
• High-temperature high-pressure properties of silica from quantum Monte Carlo
  K. P. Driver, R. E. Cohen, Zhigang Wu, B. Militzer, P. López Ríos, M. D. Towler, R. J. Needs, and J. W. Wilkins
  Proc. Natl. Acad. Sci. U.S.A. 107, 9519 (2010) [arXiv:1001.2066]
  
  
• First-principles method for impurities in quantum fluids: Positron in an electron gas
  N. D. Drummond, P. López Ríos, C. J. Pickard, and R. J. Needs
  Phys. Rev. B 82, 035107 (2010) [arXiv:1002.4748]
  
  
• Ultracold atoms at unitarity within quantum Monte Carlo
  A. J. Morris, P. López Ríos, and R. J. Needs
  Phys. Rev. A 81, 033619 (2010) [arXiv:0910.0720]
  
  
• Continuum variational and diffusion quantum Monte Carlo calculations
  R. J. Needs, M. D. Towler, N. D. Drummond, and P. López Ríos
  J. Phys.: Condens. Matter 22, 023201 (2010) [arXiv:1002.2127]
  
  
• Energies of the first row atoms from quantum Monte Carlo
  M. D. Brown, J. R. Trail, P. López Ríos, and R. J. Needs
  J. Chem. Phys. 126, 224110 (2007) [arXiv:1011.4343]
  
  
• Inhomogeneous backflow transformations in quantum Monte Carlo
  P. López Ríos, A. Ma, N. D. Drummond, M. D. Towler, and R. J. Needs
  Phys. Rev. E 74, 066701 (2006) [arXiv:0801:0518]
  
  
• Quantum Monte Carlo study of the Ne atom and the Ne⁺ ion
  N. D. Drummond, P. López Ríos, A. Ma, J. R. Trail, G. G. Spink, M. D. Towler, and R. J. Needs
  J. Chem. Phys. 124, 224104 (2006) [arXiv:0801.0372]
  [Erratum]