Items where Author is "Drummond, Neil"

Szyniszewski, Marcin and Mostaani, Elaheh and Knothe, Angelika and Enaldiev, Vladimir and Ferrari, A.C and Fal'ko, V. I. and Drummond, Neil (2025) Adhesion and Reconstruction of Graphene/Hexagonal Boron Nitride Heterostructures : A Quantum Monte Carlo Study. ACS Nano, 19 (6). pp. 6014-6020. ISSN 1936-0851

Azadi, Sam and Drummond, Neil and Vinko, S. M. (2024) Quantum Monte Carlo study of the phase diagram of the two-dimensional uniform electron liquid. Physical Review B: Condensed Matter and Materials Physics, 110 (24): 245145. ISSN 1098-0121

Morawetz, Klaus and Ashokan, Vinod and Pathak, K. N. and Drummond, Neil and Cuniberti, G (2024) Electronic quantum wires in extended quasiparticle picture. Physical Review B: Condensed Matter and Materials Physics, 109 (20): 205116. ISSN 1098-0121

Bean, Gabriel and Ruostekoski, Janne and Drummond, Neil (2024) Cooperative optics of low-dimensional clouds of dipolar atoms. PhD thesis, Lancaster University.

Bean, Gabriel and Drummond, Neil and Ruostekoski, Janne (2024) Propagation of light in cold emitter ensembles with quantum position correlations due to static long-range dipolar interactions. Physical Review Research, 6 (1): 013078. ISSN 2643-1564

Azadi, Sam and Drummond, Neil and Vinko, S. M. (2023) Correlation energy of the spin-polarized electron liquid studied using quantum Monte Carlo simulations. Physical Review B: Condensed Matter and Materials Physics, 108 (11): 115134. ISSN 1098-0121

Mostaani, Elaheh and Hunt, Ryan J and Thomas, David and Szyniszewski, Marcin and Montblanch, A. and Barbone, Matteo and Atature, Mete and Drummond, Neil and Ferrari, Andrea (2023) Charge carrier complexes in monolayer semiconductors. Physical Review B: Condensed Matter and Materials Physics, 108 (3): 035420. ISSN 1098-0121

Simula, Kristoffer and Harkonen, J and Zhelezova, I and Drummond, Neil and Tuomisto, F and Makkonen, Ilja (2023) Quantum Monte Carlo study of Doppler broadening of positron annihilation radiation in semiconductors and insulators. Physical Review B: Condensed Matter and Materials Physics, 108 (4): 045201. ISSN 1098-0121

Amelio, Ivan and Drummond, Neil and Demler, Eugene and Schmidt, Richard and Imamoglu, Atac (2023) Polaron spectroscopy of a bilayer excitonic insulator. Physical Review B: Condensed Matter and Materials Physics, 107: 155303. ISSN 1098-0121

Azadi, Sam and Drummond, Neil and Vinko, S. M. (2023) Correlation energy of the paramagnetic electron gas at the thermodynamic limit. Physical Review B: Condensed Matter and Materials Physics, 107 (12): L121105. ISSN 1098-0121

Girdhar, Ankush and Ashokan, Vinod and Sharma, R. O. and Drummond, Neil and Pathak, K. N. (2023) Wire-width and electron-density dependence of the crossover in the peak of the static structure factor from 2k_F->4k_F in one-dimensional paramagnetic electron gases. Physical Review B: Condensed Matter and Materials Physics, 107: 115414. ISSN 1098-0121

Cassella, Gino and Sutterud, Halvard and Azadi, Sam and Drummond, Neil and Pfau, David and Spencer, James S. and Foulkes, W. M. C. (2023) Discovering quantum phase transitions with fermionic neural networks. Physical review letters, 130 (3): 036401. ISSN 1079-7114

Marsusi, Farah and Mostaani, Elaheh and Drummond, Neil (2022) Quantum Monte Carlo study of three-dimensional Coulomb complexes : Trions and biexcitons, hydrogen molecules and ions, helium hydride cations, and positronic and muonic complexes. Physical Review A - Atomic, Molecular, and Optical Physics, 106 (6): 062822. ISSN 1050-2947

Simula, Kristoffer and Muff, Jake and Makkonen, Ilja and Drummond, Neil (2022) Quantum Monte Carlo Study of Positron Lifetimes in Solids. Physical review letters, 129 (16): 166403. ISSN 1079-7114

Azadi, Sam and Drummond, Neil (2022) Low-density phase diagram of the three-dimensional electron gas. Physical Review B: Condensed Matter and Materials Physics, 105 (24): 245135. ISSN 1098-0121

Thomas, David and Asiri, Yassmin and Drummond, Neil (2022) Point defect formation energies in graphene from diffusion quantum Monte Carlo and density functional theory. Physical Review B: Condensed Matter and Materials Physics, 105 (18): 184114. ISSN 1098-0121

Girdhar, Ankush and Ashokan, Vinod and Drummond, Neil and Morawetz, Klaus and Pathak, K. N. (2022) Electron correlation and confinement effects in quasi-one-dimensional quantum wires at high density. Physical Review B: Condensed Matter and Materials Physics, 105 (11): 115140. ISSN 1098-0121

Asiri, Yassmin and Drummond, Neil (2022) Quantum Monte Carlo study of van der Waals systems. PhD thesis, Lancaster University.

Azadi, Sam and Drummond, Neil and Foulkes, W. M. C. (2021) Quasiparticle effective mass of the three-dimensional Fermi liquid by quantum Monte Carlo. Physical review letters, 127 (8): 086401. ISSN 1079-7114

Slizovskiy, Sergey and Garcia-Ruiz, Aitor and Berdyugin, A. I. and Na, X. and Taniguchi, T. and Watanabe, K. and Geim, Andre and Drummond, Neil and Fal'ko, V. L. (2021) Out-of-plane dielectric susceptibility of graphene in twistronic and Bernal bilayers. Nano Letters, 21 (15). pp. 6678-6683. ISSN 1530-6984

Sharma, Rajesh and Drummond, Neil and Ashokan, Vinod and Pathak, K. N. and Morawetz, Klaus (2021) Ground-state properties of electron-electron biwire systems. Physical Review B: Condensed Matter and Materials Physics, 104 (3): 035149. ISSN 1098-0121

Magorrian, Samuel and Zolyomi, Viktor and Drummond, Neil (2021) Structures of bulk hexagonal post transition metal chalcogenides from dispersion-corrected density functional theory. Physical Review B: Condensed Matter and Materials Physics, 103 (9): 094118. ISSN 1098-0121

Thomas, David and Drummond, Neil (2021) Low-dimensional systems : A quantum Monte Carlo study. PhD thesis, Lancaster University.

Hunt, Ryan James and Monserrat, Bartomeu and Zolyomi, Viktor and Drummond, Neil (2020) Diffusion quantum Monte Carlo and GW study of the electronic properties of monolayer and bulk hexagonal boron nitride. Physical Review B: Condensed Matter and Materials Physics, 101 (20): 205115. ISSN 1098-0121

Needs, Richard and Towler, M. D. and Drummond, Neil and Lopez Rios, Pablo and Trail, J. R. (2020) Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code. Journal of Chemical Physics, 152 (15): 154106. ISSN 0021-9606

Vialla, Fabien and Danovich, Mark and Ruiz-Tijerina, D. A. and Massicotte, Mathieu and Schmidt, Peter and Taniguchi, Takashi and Watanabe, Kenji and Hunt, Ryan James and Szyniszewski, Marcin and Drummond, Neil and Pederson, Thomas and Falko, Vladimir and Koppens, Frank H. L. (2019) Tuning of impurity-bound interlayer complexes in a van der Waals heterobilayer. 2D Materials, 6 (3): 035032. ISSN 2053-1583

Hunt, Ryan James and Drummond, Neil (2019) Ab initio modelling of two-dimensional semiconductors. PhD thesis, Lancaster University.

Mostaani, Elaheh and Drummond, Neil (2016) Quantum Monte Carlo study of low dimensional materials. PhD thesis, Lancaster University.

Szyniszewski, Marcin and Drummond, Neil (2016) Low-dimensional quantum systems. PhD thesis, Lancaster University.

Kormanyos, Andor and Burkard, Guido and Gmitra, Martin and Fabian, Jaroslav and Zolyomi, Viktor and Drummond, Neil and Falko, Vladimir (2015) k · p theory for two-dimensional transition metal dichalcogenide semiconductors. 2D Materials, 2 (2): 022001. ISSN 2053-1583

Ganchev, Bogdan and Drummond, Neil and Aleiner, Igor and Falko, Vladimir (2015) Three-particle complexes in two-dimensional semiconductors. Physical review letters, 114 (10): 107401. ISSN 1079-7114

Tipton, W. W. and Drummond, Neil and Hennig, R. G. (2014) Importance of high-angular-momentum channels in pseudopotentials for quantum Monte Carlo. Physical review B, 90 (12): 125110. ISSN 1098-0121

Monserrat, Bartomeu and Drummond, Neil and Pickard, Chris J. and Needs, R. J. (2014) Electron-phonon coupling and the metallization of solid helium at terapascal pressures. Physical review letters, 112 (5): 055504. ISSN 0031-9007

Misquitta, A. J. and Maezono, R. and Drummond, Neil and Stone, A. J. and Needs, R. J. (2014) Anomalous nonadditive dispersion interactions in systems of three one-dimensional wires. Physical review B, 89 (4): 045140. ISSN 1098-0121

Liu, F. and Shimotani, H. and Shang, H. and Kanagasekaran, T. and Zolyomi, Viktor and Drummond, Neil and Falko, Vladimir and Tanigaki, K. (2014) High-sensitivity photodetectors based on multilayer GaTe flakes. ACS Nano, 8 (1). pp. 752-760. ISSN 1936-0851

Kormanyos, Andor and Zolyomi, Viktor and Drummond, Neil and Burkard, Guido (2014) Spin-orbit coupling, quantum dots, and qubits in monolayer transition metal dichalcogenides. Physical Review X, 4 (1): 011034. ISSN 2160-3308

Zolyomi, Viktor and Drummond, Neil and Falko, Vladimir (2013) Band structure and optical transitions in atomic layers of hexagonal gallium chalcogenides. Physical review B, 87 (19): 195403. ISSN 1550-235X

Monserrat, Bartomeu and Drummond, Neil and Needs, R. J. (2013) Anharmonic vibrational properties in periodic systems: energy, electron-phonon coupling, and stress. Physical review B, 87 (14): 144302. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2013) Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas. Physical review B, 87 (4): 045131. ISSN 1550-235X

Lopez Rios, P. and Seth, P. and Drummond, Neil and Needs, R. J. (2012) Framework for constructing generic Jastrow correlation factors. Physical Review E, 86 (3). 036703-036717. ISSN 1539-3755

Drummond, Neil and Zolyomi, Viktor and Falko, Vladimir (2012) Electrically tunable band gap in silicene. Physical review B, 85 (7): 075423. ISSN 1550-235X

Marsusi, F and Sabbaghzadeh, J and Drummond, Neil (2011) Comparison of quantum Monte Carlo with time-dependent and static density-functional theory calculations of diamondoid excitation energies and Stokes shifts. Physical review B, 84 (24): 245315. ISSN 1550-235X

Drummond, Neil and Lopez Rios, P. and Needs, R. J. and Pickard, C. J. (2011) Quantum Monte Carlo study of a positron in an electron gas. Physical review letters, 107 (20): 207402. ISSN 1079-7114

Lee, R. M. and Conduit, G. J. and Nemec, N. and Lopez Rios, P. and Drummond, Neil (2011) Strategies for improving the efficiency of quantum Monte Carlo calculations. Physical Review E, 83 (6): 066706. ISSN 1539-3755

Lee, R. M. and Drummond, Neil (2011) Ground-state properties of the one-dimensional electron liquid. Physical review B, 83 (24): 245114. ISSN 1550-235X

Drummond, Neil and Cooper, N. R. and Needs, R. J. and Shlyapnikov, G. V. (2011) Quantum Monte Carlo calculation of the zero-temperature phase diagram of the two-component fermionic hard-core gas in two dimensions. Physical review B, 83 (19): 195429. ISSN 1550-235X

Maezono, R. and Drummond, Neil and Ma, A. and Needs, R. J. (2010) Diamond to beta-tin phase transition in Si within diffusion quantum Monte Carlo. Physical review B, 82 (18): 184108. ISSN 1550-235X

Binnie, S. J. and Nolan, S. J. and Drummond, Neil and Alfe, D and Allan, N. L. and Manby, F. R. and Gillan, M. J. (2010) Bulk and surface energetics of crystalline lithium hydride: Benchmarks from quantum Monte Carlo and quantum chemistry. Physical review B, 82 (16): 165431. ISSN 1550-235X

Drummond, Neil and Lopez Rios, P. and Pickard, C. J. and Needs, R. J. (2010) First-principles method for impurities in quantum fluids: Positron in an electron gas. Physical review B, 82: 035107. ISSN 1550-235X

Kita, Y. and Tachikawa, M. and Drummond, Neil and Needs, R. J. (2010) A variational Monte Carlo study of positronic compounds using inhomogeneous backflow transformations. Chemistry Letters, 39 (11). pp. 1136-1137. ISSN 0366-7022

Needs, R. J. and Towler, M. D. and Drummond, Neil and Lopez Rios, P. (2009) Continuum variational and diffusion quantum Monte Carlo calculations. Journal of Physics: Condensed Matter, 22 (2): 023201. ISSN 1361-648X

Drummond, Neil and Needs, R. J. (2009) Quantum Monte Carlo calculation of the energy band and quasiparticle effective mass of the two-dimensional Fermi fluid. Physical review B, 80 (24): 245104. ISSN 1550-235X

Hsing, C. R. and Wei, C. M. and Drummond, Neil and Needs, R. J. (2009) Quantum Monte Carlo studies of covalent and metallic clusters: accuracy of density functional approximations. Physical review B, 79 (24): 245401. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2009) Phase diagram of the low-density two-dimensional homogeneous electron gas. Physical review letters, 102 (12): 126402. ISSN 1079-7114

Lee, R. M. and Drummond, Neil and Needs, R. J. (2009) Exciton-exciton interaction and biexciton formation in bilayer systems. Physical review B, 79 (12): 125308. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2009) Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid. Physical review B, 79 (8): 085414. ISSN 1550-235X

Drummond, Neil and Needs, R. J. and Sorouri, A. and Foulkes, W. M. C. (2008) Finite-size errors in continuum quantum Monte Carlo calculations. Physical review B, 78 (12): 125106. ISSN 1550-235X

Drummond, Neil and Needs, R. J. (2007) van der Waals Interactions between Thin Metallic Wires and Layers. Physical review letters, 99 (16): 166401. ISSN 1079-7114

Drummond, Neil (2007) Nanomaterials: Diamondoids display their potential. Nature Nanotechnology, 2 (8). pp. 462-463. ISSN 1748-3387

Lopez Rios, P. and Ma, A. and Drummond, Neil and Towler, M. D. and Needs, R. J. (2006) Inhomogeneous backflow transformations in quantum Monte Carlo calculations. Physical Review E, 74 (6): 066701. ISSN 1539-3755

Drummond, Neil and Needs, R. J. (2006) Quantum Monte Carlo, density functional theory, and pair potential studies of solid neon. Physical review B, 73 (2): 024107. ISSN 1550-235X

Gurtubay, I. G. and Drummond, Neil and Towler, M. D. and Needs, R. J. (2006) Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers. Journal of Chemical Physics, 124 (2): 024318. ISSN 1089-7690

Drummond, Neil and Lopez Rios, P. and Ma, A. and Trail, J. R. and Spink, G. G. and Towler, M. D. and Needs, R. J. (2006) Quantum Monte Carlo study of the Ne atom and the Ne+ ion. Journal of Chemical Physics, 124 (22): 224104. ISSN 1089-7690

Drummond, Neil and Williamson, A. J. and Needs, R. J. and Galli, G. (2005) Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study. Physical review letters, 95 (9): 096801. ISSN 1079-7114

Drummond, Neil and Needs, R. J. (2005) Variance-minimization scheme for optimizing Jastrow factors. Physical review B, 72 (8): 085124. ISSN 1550-235X

Ma, A. and Drummond, Neil and Towler, M. D. and Needs, R. J. (2005) All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe. Physical Review E, 71 (6): 066704. ISSN 1539-3755

Tan, M. Y. J. and Drummond, Neil and Needs, R. J. (2005) Exciton and biexciton energies in bilayer systems. Physical review B, 71 (3): 033303. ISSN 1550-235X

Ma, A. and Towler, M. D. and Drummond, Neil and Needs, R. J. (2005) Scheme for adding electron–nucleus cusps to Gaussian orbitals. Journal of Chemical Physics, 122 (22): 224322. ISSN 1089-7690

Drummond, Neil and Towler, M. D. and Needs, R. J. (2004) Jastrow correlation factor for atoms, molecules, and solids. Physical review B, 70 (23): 235119. ISSN 1550-235X

Luo, S.-N. and Swift, D. C. and Mulford, R. N. and Drummond, Neil and Ackland, G. J. (2004) Performance of an ab initio equation of state for magnesium oxide. Journal of Physics: Condensed Matter, 16 (30): 5435. ISSN 1361-648X

Drummond, Neil and Radnai, Z. and Trail, J. R. and Towler, M. D. and Needs, R. J. (2004) Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals. Physical review B, 69 (8): 085116. ISSN 1550-235X

Wood, B. and Foulkes, W. M. C. and Towler, M. D. and Drummond, Neil (2004) Coulomb finite-size effects in quasi-two-dimensional systems. Journal of Physics: Condensed Matter, 16 (6). pp. 891-902. ISSN 1361-648X

Drummond, Neil and Ackland, G. J. (2002) Ab initio quasiharmonic equations of state for dynamically stabilized soft-mode materials. Physical review B, 65 (18): 184104. ISSN 1550-235X