Dr Neil Drummond

Quantum Monte Carlo study of the phase diagram of solid molecular hydrogen at extreme pressures
Drummond, N.D., Monserrat, B., Lloyd-Williams, J.H., Rios, P.L., Pickard, C.J., Needs, R.J. 28/07/2015 In: Nature Communications. 6, 6 p.
Journal article

k · p theory for two-dimensional transition metal dichalcogenide semiconductors
Kormanyos, A., Burkard, G., Gmitra, M., Fabian, J., Zolyomi, V., Drummond, N., Falko, V. 06/2015 In: 2D Materials. 2, 2, 31 p.
Journal article

Three-particle complexes in two-dimensional semiconductors
Ganchev, B., Drummond, N., Aleiner, I., Falko, V. 13/03/2015 In: Physical Review Letters. 114, 10, 5 p.
Journal article

Importance of high-angular-momentum channels in pseudopotentials for quantum Monte Carlo
Tipton, W.W., Drummond, N., Hennig, R.G. 15/09/2014 In: Physical Review B. 90, 12, 8 p.
Journal article

Electrons and phonons in single layers of hexagonal indium chalcogenides from ab initio calculations
Zolyomi, V., Drummond, N.D., Falko, V. 14/05/2014 In: Physical Review B. 89, 20, 8 p.
Journal article

Electron-phonon coupling and the metallization of solid helium at terapascal pressures
Monserrat, B., Drummond, N., Pickard, C.J., Needs, R.J. 7/02/2014 In: Physical Review Letters. 112, 5, 5 p.
Journal article

Anomalous nonadditive dispersion interactions in systems of three one-dimensional wires
Misquitta, A.J., Maezono, R., Drummond, N., Stone, A.J., Needs, R.J. 29/01/2014 In: Physical Review B. 89, 4, 9 p.
Journal article

High-sensitivity photodetectors based on multilayer GaTe flakes
Liu, F., Shimotani, H., Shang, H., Kanagasekaran, T., Zolyomi, V., Drummond, N., Falko, V., Tanigaki, K. 2014 In: ACS Nano. 8, 1, p. 752-760. 9 p.
Journal article

Spin-orbit coupling, quantum dots, and qubits in monolayer transition metal dichalcogenides
Kormanyos, A., Zolyomi, V., Drummond, N., Burkard, G. 2014 In: Physical Review X. 4, 1, 16 p.
Journal article

Quantum Monte Carlo study of the three-dimensional spin-polarized homogeneous electron gas
Spink, G.G., Needs, R.J., Drummond, N.D. 22/08/2013 In: Physical Review B. 88, 8, 9 p.
Journal article

Quantum Monte Carlo calculation of the Fermi liquid parameters of the two-dimensional homogeneous electron gas
Drummond, N.D., Needs, R.J. 25/07/2013 In: Physical Review B. 88, 3, 9 p.
Journal article

Monolayer MoS2: trigonal warping, the Gamma valley, and spin-orbit coupling effects
Kormanyos, A., Zolyomi, V., Drummond, N.D., Rakyta, P., Burkard, G., Falko, V. 9/07/2013 In: Physical Review B. 88, 4, 8 p.
Journal article

Binding energies of two-dimensional materials
Mostaani, E., Drummond, N., Falko, V. 11/06/2013
Poster

Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides
Zolyomi, V., Drummond, N., Falko, V. 2/05/2013 In: Physical Review B. 87, 19, 6 p.
Journal article

Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress
Monserrat, B., Drummond, N., Needs, R.J. 8/04/2013 In: Physical Review B. 87, 14, 10 p.
Journal article

Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas
Drummond, N., Needs, R.J. 31/01/2013 In: Physical Review B. 87, 4, 7 p.
Journal article

Framework for constructing generic Jastrow correlation factors
Lopez Rios, P., Seth, P., Drummond, N., Needs, R.J. 27/09/2012 In: Physical Review E. 86, 3, p. 036703-036717. 15 p.
Journal article

Electrically tunable band gap in silicene
Drummond, N., Zolyomi, V., Falko, V. 22/02/2012 In: Physical Review B. 85, 7, 7 p.
Journal article

Comparison of quantum Monte Carlo with time-dependent and static density-functional theory calculations of diamondoid excitation energies and Stokes shifts
Marsusi, F., Sabbaghzadeh, J., Drummond, N. 19/12/2011 In: Physical Review B. 84, 24, 11 p.
Journal article

Quantum Monte Carlo study of a positron in an electron gas
Drummond, N., Lopez Rios, P., Needs, R.J., Pickard, C.J. 8/11/2011 In: Physical Review Letters. 107, 20, 5 p.
Journal article

Strategies for improving the efficiency of quantum Monte Carlo calculations
Lee, R.M., Conduit, G.J., Nemec, N., Lopez Rios, P., Drummond, N. 27/06/2011 In: Physical Review E. 83, 6, 11 p.
Journal article

Ground-state properties of the one-dimensional electron liquid
Lee, R.M., Drummond, N. 22/06/2011 In: Physical Review B. 83, 24, 12 p.
Journal article

Quantum Monte Carlo calculation of the zero-temperature phase diagram of the two-component fermionic hard-core gas in two dimensions
Drummond, N., Cooper, N.R., Needs, R.J., Shlyapnikov, G.V. 18/05/2011 In: Physical Review B. 83, 19, 11 p.
Journal article

Diamond to beta-tin phase transition in Si within diffusion quantum Monte Carlo
Maezono, R., Drummond, N., Ma, A., Needs, R.J. 12/11/2010 In: Physical Review B. 82, 18, 7 p.
Journal article

Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry
Binnie, S.J., Nolan, S.J., Drummond, N., Alfe, D., Allan, N.L., Manby, F.R., Gillan, M.J. 10/10/2010 In: Physical Review B. 82, 16, 10 p.
Journal article

First-principles method for impurities in quantum fluids: Positron in an electron gas
Drummond, N., Lopez Rios, P., Pickard, C.J., Needs, R.J. 9/07/2010 In: Physical Review B. 82, 17 p.
Journal article

A variational Monte Carlo study of positronic compounds using inhomogeneous backflow transformations
Kita, Y., Tachikawa, M., Drummond, N., Needs, R.J. 2010 In: Chemistry Letters. 39, 11, p. 1136-1137. 2 p.
Journal article

Continuum variational and diffusion quantum Monte Carlo calculations
Needs, R.J., Towler, M.D., Drummond, N., Lopez Rios, P. 10/12/2009 In: Journal of Physics: Condensed Matter. 22, 2, 15 p.
Journal article

Quantum Monte Carlo calculation of the energy band and quasiparticle effective mass of the two-dimensional Fermi fluid
Drummond, N., Needs, R.J. 3/12/2009 In: Physical Review B. 80, 24, 8 p.
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Quantum Monte Carlo studies of covalent and metallic clusters: accuracy of density functional approximations
Hsing, C.R., Wei, C.M., Drummond, N., Needs, R.J. 1/06/2009 In: Physical Review B. 79, 24, 5 p.
Journal article

Phase diagram of the low-density two-dimensional homogeneous electron gas
Drummond, N., Needs, R.J. 24/03/2009 In: Physical Review Letters. 102, 12, 4 p.
Journal article

Exciton-exciton interaction and biexciton formation in bilayer systems
Lee, R.M., Drummond, N., Needs, R.J. 12/03/2009 In: Physical Review B. 79, 12, 6 p.
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Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid
Drummond, N., Needs, R.J. 13/02/2009 In: Physical Review B. 79, 8, 8 p.
Journal article

Finite-size errors in continuum quantum Monte Carlo calculations
Drummond, N., Needs, R.J., Sorouri, A., Foulkes, W.M.C. 12/09/2008 In: Physical Review B. 78, 12, 19 p.
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van der Waals Interactions between Thin Metallic Wires and Layers
Drummond, N., Needs, R.J. 16/10/2007 In: Physical Review Letters. 99, 16, 4 p.
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Nanomaterials: Diamondoids display their potential
Drummond, N. 2007 In: Nature Nanotechnology. 2, 8, p. 462-463. 2 p.
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Inhomogeneous backflow transformations in quantum Monte Carlo calculations
Lopez Rios, P., Ma, A., Drummond, N., Towler, M.D., Needs, R.J. 18/12/2006 In: Physical Review E. 74, 6
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Quantum Monte Carlo, density functional theory, and pair potential studies of solid neon
Drummond, N., Needs, R.J. 19/01/2006 In: Physical Review B. 73, 2, 8 p.
Journal article

Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers
Gurtubay, I.G., Drummond, N., Towler, M.D., Needs, R.J. 2006 In: Journal of Chemical Physics. 124, 2, 6 p.
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Quantum Monte Carlo study of the Ne atom and the Ne+ ion
Drummond, N., Lopez Rios, P., Ma, A., Trail, J.R., Spink, G.G., Towler, M.D., Needs, R.J. 2006 In: Journal of Chemical Physics. 124, 22, 6 p.
Journal article

Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study
Drummond, N., Williamson, A.J., Needs, R.J., Galli, G. 22/08/2005 In: Physical Review Letters. 95, 9, 4 p.
Journal article

Variance-minimization scheme for optimizing Jastrow factors
Drummond, N., Needs, R.J. 18/08/2005 In: Physical Review B. 72, 8, 13 p.
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All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe
Ma, A., Drummond, N., Towler, M.D., Needs, R.J. 21/06/2005 In: Physical Review E. 71, 6, 5 p.
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Exciton and biexciton energies in bilayer systems
Tan, M.Y.J., Drummond, N., Needs, R.J. 4/01/2005 In: Physical Review B. 71, 3, 3 p.
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Scheme for adding electron–nucleus cusps to Gaussian orbitals
Ma, A., Towler, M.D., Drummond, N., Needs, R.J. 2005 In: Journal of Chemical Physics. 122, 22, 7 p.
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Jastrow correlation factor for atoms, molecules, and solids
Drummond, N., Towler, M.D., Needs, R.J. 17/12/2004 In: Physical Review B. 70, 23, 11 p.
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Performance of an ab initio equation of state for magnesium oxide
Luo, S., Swift, D.C., Mulford, R.N., Drummond, N., Ackland, G.J. 16/07/2004 In: Journal of Physics: Condensed Matter. 16, 30
Journal article

Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals
Drummond, N., Radnai, Z., Trail, J.R., Towler, M.D., Needs, R.J. 27/02/2004 In: Physical Review B. 69, 8, 10 p.
Journal article

Coulomb finite-size effects in quasi-two-dimensional systems
Wood, B., Foulkes, W.M.C., Towler, M.D., Drummond, N. 30/01/2004 In: Journal of Physics: Condensed Matter. 16, 6, p. 891-902. 12 p.
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Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials
Drummond, N., Ackland, G.J. 25/04/2002 In: Physical Review B. 65, 18, 14 p.
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