Dr Neil Drummond

Lecturer

Research Interests

Application of quantum Monte Carlo methods to calculate material properties from first principles, with a particular emphasis on low-dimensional systems. See http://www.lancs.ac.uk/~drummonn/.

Quantum Monte Carlo calculation of the binding energy of bilayer graphene
Mostaani, E., Drummond, N.D., Fal'ko, V.I. 11/09/2015 In: Physical Review Letters. 115, 11, p. 115501. 1 p.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

Nanomaterials: Diamondoids display their potential
Drummond, N. 2007 In: Nature Nanotechnology. 2, 8, p. 462-463. 2 p.
Journal article

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
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article

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.
Journal article