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Dr Neil Drummond

Dr Neil Drummond

Lecturer

C35 Physics Building
Lancaster University
Bailrigg
Lancaster
United Kingdom
LA1 4YB

+44 (0)1524 592258

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/.

Web Links

Website: http://www.lancs.ac.uk/~drummonn/

Neil Drummond's Publications

2014

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.205416

Research output: Contribution to journalJournal 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.055504

Research output: Contribution to journalJournal 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.045140

Research output: Contribution to journalJournal 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.

Research output: Contribution to journalJournal 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.011034

Research output: Contribution to journalJournal article

2013

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.085121

Research output: Contribution to journalJournal 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.035133

Research output: Contribution to journalJournal 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.045416

Research output: Contribution to journalJournal article

Binding energies of two-dimensional materials

Mostaani, E., Drummond, N. (ed.) & Falko, V. (ed.) 11/06/2013

Research output: Contribution to conferencePoster

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.195403

Research output: Contribution to journalJournal 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.144302

Research output: Contribution to journalJournal 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.045131

Research output: Contribution to journalJournal article

2012

Framework for constructing generic Jastrow correlation factors

Lopez Rios, P., Seth, P., Drummond, N. & Needs, R. J. 27/09/2012 In : Physical Review E - Statistical, Nonlinear and Soft Matter Physics. 86, 3, p. 036703-036717 15 p.

Research output: Contribution to journalJournal article

Electrically tunable band gap in silicene

Drummond, N., Zolyomi, V. & Falko, V. 22/02/2012 In : Physical Review B. 85, 7, 7 p.075423

Research output: Contribution to journalJournal article

2011

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.245315

Research output: Contribution to journalJournal 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.207402

Research output: Contribution to journalJournal 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 - Statistical, Nonlinear and Soft Matter Physics. 83, 6, 11 p.066706

Research output: Contribution to journalJournal 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.245114

Research output: Contribution to journalJournal 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.195429

Research output: Contribution to journalJournal article

2010

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.184108

Research output: Contribution to journalJournal 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.165431

Research output: Contribution to journalJournal 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.035107

Research output: Contribution to journalJournal 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.

Research output: Contribution to journalJournal article

2009

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.023201

Research output: Contribution to journalJournal 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.245104

Research output: Contribution to journalJournal 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.245401

Research output: Contribution to journalJournal 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.126402

Research output: Contribution to journalJournal 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.125308

Research output: Contribution to journalJournal 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.085414

Research output: Contribution to journalJournal article

2008

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.125106

Research output: Contribution to journalJournal article

2007

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.166401

Research output: Contribution to journalJournal article

Nanomaterials: Diamondoids display their potential

Drummond, N. 2007 In : Nature Nanotechnology. 2, 8, p. 462-463 2 p.

Research output: Contribution to journalJournal article

2006

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 - Statistical, Nonlinear and Soft Matter Physics. 74, 6, 066701

Research output: Contribution to journalJournal 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.024107

Research output: Contribution to journalJournal 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.024318

Research output: Contribution to journalJournal 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.224104

Research output: Contribution to journalJournal article

2005

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.096801

Research output: Contribution to journalJournal article

Variance-minimization scheme for optimizing Jastrow factors

Drummond, N. & Needs, R. J. 18/08/2005 In : Physical Review B. 72, 8, 13 p.085124

Research output: Contribution to journalJournal 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.066704

Research output: Contribution to journalJournal 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.033303

Research output: Contribution to journalJournal 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.224322

Research output: Contribution to journalJournal article

2004

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.235119

Research output: Contribution to journalJournal article

Performance of an ab initio equation of state for magnesium oxide

Luo, S-N., Swift, D. C., Mulford, R. N., Drummond, N. & Ackland, G. J. 16/07/2004 In : Journal of Physics: Condensed Matter. 16, 30, 5435

Research output: Contribution to journalJournal 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.085116

Research output: Contribution to journalJournal 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.

Research output: Contribution to journalJournal article

2002

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.184104

Research output: Contribution to journalJournal article

Current Students

Research students currently supervised by Neil Drummond include: