 M. Szyniszewski, E. Mostaani, A. Knothe, V. Enaldiev,
A. C. Ferrari, V. I. Fal'ko and N. D. Drummond, Adhesion and
reconstruction of graphene/hexagonal boron nitride heterostructures:
a quantum Monte Carlo study, submitted to ACS Nano (2024).
 S. Azadi, N. D. Drummond and S. M. Vinko, Quantum Monte Carlo
study of the phase diagram of the twodimensional uniform electron
liquid, submitted to Phys. Rev. B
(2024). [Preprint: arXiv:2405.00425]
 K. Morawetz, V. Ashokan, K. N. Pathak, N. Drummond and G.
Cuniberti, Electronic quantum wires in extended quasiparticle
picture, Phys. Rev. B 109, 205116
(2024). [Download]
 G. J. Bean, N. D. Drummond and J. Ruostekoski, Propagation of
light in cold emitter ensembles with quantum position correlations due
to static longrange dipolar interactions,
Phys. Rev. Research 6, 013078 (2024).
[Download]
 S. Azadi, N. D. Drummond and S. M. Vinko, Correlation energy
of the spinpolarized electron liquid studied using quantum Monte
Carlo simulations, Phys. Rev. B 108, 115134
(2023). [Download]
 E. Mostaani, R. J. Hunt, D. M. Thomas, M. Szyniszewski,
A. R. P. Montblanch, M. Barbone, M. Atatüre, N. D. Drummond and
A. C. Ferrari, Chargecarrier complexes in monolayer
semiconductors, Phys. Rev. B 108, 035420
(2023). [Download]
 K. A. Simula, J. Härkönen, I. Zhelezova,
N. D. Drummond, F. Tuomisto and I. Makkonen, Quantum Monte Carlo
study of Doppler broadening of positron annihilation radiation in
semiconductors and insulators, Phys. Rev. B 108, 045201
(2023). [Download]
 I. Amelio, N. D. Drummond, E. Demler, R. Schmidt and
A. Imamoglu, Polaron spectroscopy of a bilayer excitonic
insulator, Phys. Rev. B 107, 155303
(2023). [Download]
 A. Girdhar, V. Ashokan, R. O. Sharma, N. D. Drummond and
K. N. Pathak, Wirewidth and electrondensity dependence of the
crossover in the peak of the static structure factor from
2k_{F}→4k_{F} in
onedimensional paramagnetic electron gases,
Phys. Rev. B 107, 115414
(2023). [Download]
 S. Azadi, N. D. Drummond and S. M. Vinko, Correlation energy
of the paramagnetic electron gas at the thermodynamic limit,
Phys. Rev. B 107, L121105
(2023). [Download]
 G. Cassella, H. Sutterud, S. Azadi, N. D. Drummond, D. Pfau,
J. S. Spencer and W. M. C. Foulkes, Discovering quantum phase
transitions with fermionic neural networks,
Phys. Rev. Lett. 130, 036401
(2023). [Download]
 F. Marsusi, E. Mostaani and N. D. Drummond, Quantum Monte
Carlo study of threedimensional Coulomb complexes: trions and
biexcitons; hydrogen molecules and ions; helium hydride cations; and
positronic and muonic complexes, Phys. Rev. A 106, 062822
(2022). [Download]
 K. A. Simula, J. E. Muff, I. Makkonen and
N. D. Drummond, Quantum Monte Carlo study of positron lifetimes in
solids, Phys. Rev. Lett. 129, 166403
(2022). [Download]
 S. Azadi and N. D. Drummond, Lowdensity phase diagram of the
threedimensional electron gas, Phys. Rev. B 105, 245135
(2022). [Download]
 D. M. Thomas, Y. Asiri and N. D. Drummond, Point defect
formation energies in graphene from diffusion quantum Monte Carlo and
density functional theory, Phys. Rev. B 105, 184114
(2022). [Download]
 A. Girdhar, V. Ashokan, N. D. Drummond, K. Morawetz and
K. N. Pathak, Electron correlation and confinement effects in
quasionedimensional quantum wires at high density, Phys. Rev. B
105, 115140
(2022). [Download]
 S. Azadi, N. D. Drummond and W. M. C. Foulkes, Quasiparticle
effective mass of the threedimensional Fermi liquid by quantum Monte
Carlo, Phys. Rev. Lett. 127, 086401
(2021). [Download]
 R. O. Sharma, N. D. Drummond, V. Ashokan, K. N. Pathak and
K. Morawetz, Groundstate properties of electronelectron biwire
systems, Phys. Rev. B 104, 035149 (2021).
[Download]
 S. Slizovskiy, A. GarciaRuiz, A. I. Berdyugin, X. Na,
T. Taniguchi, K. Watanabe, A. Geim, N. D. Drummond and V. I.
Fal'ko, Outofplane dielectric susceptibility of graphene in
twistronic and Bernal bilayers, Nano Lett. 21, 6678 (2021).
[Download]
 S. J. Magorrian, V. Zólyomi and
N. D. Drummond, Structures of bulk hexagonal post transition metal
chalcogenides from dispersioncorrected density functional theory,
Phys. Rev. B 103, 094118 (2021).
[Download]
 R. J. Hunt, B. Monserrat, V. Zólyomi and
N. D. Drummond, Diffusion quantum Monte Carlo and GW study of the
electronic properties of monolayer and bulk hexagonal boron
nitride, Phys. Rev. B 101, 205115
(2020). [Download]
 R. J. Needs, M. D. Towler, N. D. Drummond, P. López
Ríos and J. R. Trail, Variational and diffusion quantum
Monte Carlo calculations with the CASINO code,
J. Chem. Phys. 152, 154106 (2020).
[Download]
 F. Vialla, M. Danovich, D. A. RuizTijerina, M. Massicotte,
P. Schmidt, T. Taniguchi, K. Watanabe, R. J. Hunt, M. Szyniszewski,
N. D. Drummond, T. G. Pedersen, V. I. Fal'ko and
F. H. L. Koppens, Tuning of impuritybound interlayer complexes in
a van der Waals heterobilayer, 2D Mater. 6, 035032 (2019).
[Download]
 J. Li, N. D. Drummond, P. Schuck and V. Olevano, Comparing
manybody approaches against the real helium atom exact solution,
SciPost Phys. 6, 040
(2019). [Download]
 D. M. Thomas, R. J. Hunt, N. D. Drummond and M. Hayne, Binding
energies of excitonic complexes in typeII quantum rings from
diffusion quantum Monte Carlo calculations,
Phys. Rev. B 99, 115306 (2019).
[Download]
 F. Marsusi, N. D. Drummond and M. J. Verstraete,
The physics of singleside fluorination of graphene: DFT and
DFT+U studies, Carbon 144, 615 (2019).
[Download]
 V. Ashokan, N. D. Drummond and K. N. Pathak, Onedimensional
electron fluid at high density, Phys. Rev. B 98, 125139
(2018). [Download]
 R. J. Hunt, M. Szyniszewski, G. I. Prayogo, R. Maezono and
N. D. Drummond, Quantum Monte Carlo calculations of energy gaps
from first principles, Phys. Rev. B 98, 075122
(2018). [Download]
 B. Monserrat, N. D. Drummond, P. DalladaySimpson, R. T. Howie,
P. López Ríos, E. Gregoryanz, C. J. Pickard and
R. J. Needs, Structure and metallicity of phase V of hydrogen,
Phys. Rev. Lett. 120, 255701
(2018). [Download]
 M. Danovich, D. A. RuizTijerina, R. J. Hunt, M. Szyniszewski,
N. D. Drummond and V. I. Fal'ko, Localized interlayer complexes in
heterobilayer transition metal dichalcogenides,
Phys. Rev. B 97, 195452
(2018). [Download]
 O. Witham, R. J. Hunt and N. D. Drummond, Stability of trions
in coupled quantum wells modeled by twodimensional bilayers,
Phys. Rev. B 97, 075424
(2018). [Download]
 E. Mostaani, M. Szyniszewski, C. H. Price, R. Maezono, M.
Danovich, R. J. Hunt, N. D. Drummond and V. I. Fal'ko, Diffusion
quantum Monte Carlo study of excitonic complexes in twodimensional
transitionmetal dichalcogenides, Phys. Rev. B 96, 075431
(2017). [Download]
 M. Szyniszewski, E. Mostaani, N. D. Drummond and
V. I. Fal'ko, Binding energies of trions and biexcitons in
twodimensional semiconductors from diffusion quantum Monte Carlo
calculations, Phys. Rev. B 95, 081301(R)
(2017). [Download]
 S. Azadi, N. D. Drummond and W. M. C. Foulkes, Nature of the
metallization transition in solid hydrogen,
Phys. Rev. B 95, 035142 (2017).
[Download]
 N. D. Drummond, J. R. Trail and R. J. Needs, TrailNeeds
pseudopotentials in quantum Monte Carlo calculations with
planewave/blip basis sets, Phys. Rev. B 94, 165170
(2016). [Download]
 M. Danovich, I. L. Aleiner, N. D. Drummond and
V. I. Fal'ko, Fast relaxation of photoexcited carriers in 2D
transition metal dichalcogenides, IEEE J. Sel. Top. Quantum
Electron. 23, 6000105
(2016). [Download]
 G. G. Spink, P. López Ríos, N. D. Drummond and
R. J. Needs, Trion formation in a twodimensional holedoped
electron gas, Phys. Rev. B 94, 041410(R)
(2016). [Download]
 E. Mostaani, B. Monserrat, N. D. Drummond and C. J. Lambert,
Quasiparticle and excitonic gaps of onedimensional carbon
chains, Phys. Chem. Chem. Phys. 18, 14810
(2016). [Download]
 F. Liu, S. Zheng, A. Chaturvedi, V. Zólyomi, J. Zhou,
Q. Fu, C. Zhu, P. Yu, Q. Zeng, N. D. Drummond, H. J. Fan, C. Kloc,
V. I. Fal'ko, X. He and Z. Liu, Optoelectronic properties of
atomically thin ReSSe with weak interlayer coupling,
Nanoscale 8, 5826
(2016). [Download]
 E. Mostaani, N. D. Drummond and V. I. Fal'ko, Quantum Monte
Carlo calculation of the binding energy of bilayer graphene,
Phys. Rev. Lett. 115, 115501
(2015). [Download]
 N. D. Drummond, B. Monserrat, J. H. LloydWilliams,
P. López Ríos, C. J. Pickard and R. J. Needs, Quantum
Monte Carlo study of the phase diagram of solid molecular hydrogen at
extreme pressures, Nat. Commun. 6, 7794
(2015). [Download]
 A. Kormányos, G. Burkard, M. Gmitra, J. Fabian,
V. Zólyomi, N. D. Drummond and
V. I. Fal'ko, k.p theory for twodimensional
transition metal dichalcogenide semiconductors, 2D
Mater. 2, 022001 (2015).
[Download]
 B. Ganchev, N. D. Drummond, I. Aleiner and
V. Fal'ko, Threeparticle complexes in twodimensional
semiconductors, Phys. Rev. Lett. 114, 107401
(2015). [Download]
 W. W. Tipton, N. D. Drummond and R. G. Hennig, Importance of
highangularmomentum channels in pseudopotentials for quantum Monte
Carlo, Phys. Rev. B 90, 125110 (2014).
[Download]
 V. Zólyomi, N. D. Drummond and V. I. Fal'ko, Electrons
and phonons in single layers of hexagonal indium chalcogenides
from ab initio calculations, Phys. Rev. B 89,
205416 (2014).
[Download]
 A. Kormányos, V. Zólyomi, N. D. Drummond and
G. Burkard, Spin–orbit coupling, quantum dots and qubits in
transition metal dichalcogenides, Phys. Rev. X 4, 011034
(2014).
[Download]
 F. Liu, H. Shimotani, H. Shang, T. Kanagasekaran,
V. Zólyomi, N. D. Drummond, V. I. Fal'ko and
K. Tanigaki, Highsensitivity photodetectors based on multilayer
GaTe flakes, ACS Nano 8, 752
(2014). [Download]
 B. Monserrat, N. D. Drummond, C. J. Pickard and
R. J. Needs, Electron–phonon coupling and the metalization
of solid helium at terapascal pressures,
Phys. Rev. Lett. 112, 055504 (2014).
[Download]
 A. J. Misquitta, R. Maezono, N. D. Drummond, A. J. Stone and
R. J. Needs, Anomalous nonadditive dispersion interactions in
systems of three onedimensional wires, Phys. Rev. B 89,
045140 (2014).
[Download]
 G. G. Spink, R. J. Needs, and N. D. Drummond, Quantum Monte
Carlo study of the threedimensional spinpolarized homogeneous
electron gas, Phys. Rev. B 88, 085121 (2013).
[Download]
 N. D. Drummond and R. J. Needs, Quantum Monte Carlo
calculation of the Fermi liquid parameters of the twodimensional
homogeneous electron gas, Phys. Rev. B 88, 035133
(2013). [Download]
 A. Kormányos, V. Zólyomi, N. D. Drummond,
P. Rakyta, G. Burkard and V. I. Fal'ko, Monolayer
MoS_{2}: trigonal warping, "Γvalley" and
spin–orbit coupling effects, Phys. Rev. B 88,
045416 (2013).
[Download]
 V. Zólyomi, N. D. Drummond and V. I. Fal'ko, Band
structure and optical transitions in atomic layers of hexagonal
gallium chalcogenides, Phys. Rev. B 87, 195403
(2013). [Download]
 B. Monserrat, N. D. Drummond and R. J. Needs, Anharmonic
vibrational properties in periodic systems: energy,
electron–phonon coupling, and stress,
Phys. Rev. B 87, 144302
(2013). [Download]
 N. D. Drummond and R. J. Needs, Diffusion quantum Monte Carlo
calculation of the quasiparticle effective mass of the twodimensional
homogeneous electron gas, Phys. Rev. B 87, 045131
(2013). [Download]
 P. López Ríos, P. Seth, N. D. Drummond and
R. J. Needs, Framework for constructing generic Jastrow correlation
factors, Phys. Rev. E 86, 036703 (2012).
[Download]
 N. D. Drummond, V. Zólyomi and
V. I. Fal'ko, Electrically tunable band gap in silicene,
Phys. Rev. B 85, 075423 (2012).
[Download]
 F. Marsusi, J. Sabbaghzadeh and N. D. Drummond, Comparison of
quantum Monte Carlo with timedependent and static
densityfunctional theory calculations of diamondoid excitation
energies and Stokes shifts, Phys. Rev. B 84, 245315
(2011). [Download]
 N. D. Drummond, P. López Ríos, C. J. Pickard and
R. J. Needs, Quantum Monte Carlo study of a positron in an
electron gas, Phys. Rev. Lett. 107, 207402
(2011). [Download]
 R. M. Lee, G. J. Conduit, N. Nemec, P. López Ríos
and N. D. Drummond, Strategies for improving the efficiency of
quantum Monte Carlo calculations, Phys. Rev. E 83, 066706
(2011). [Download]
 R. M. Lee and N. D. Drummond, Groundstate properties of the
onedimensional electron liquid, Phys. Rev. B 83, 245114
(2011). [Download]
 N. D. Drummond, N. R. Cooper, R. J. Needs and
G. V. Shlyapnikov, Quantum Monte Carlo calculation of the
zerotemperature phase diagram of the twocomponent fermionic
hardcore gas in two dimensions, Phys. Rev. B 83, 195429
(2011). [Download]
 R. Maezono, N. D. Drummond, A. Ma and R. J. Needs, Diamond to
βtin phase transition in Si within diffusion quantum Monte
Carlo, Phys. Rev. B 82, 184108
(2010). [Download]
 S. J. Binnie, S. J. Nolan, N. D. Drummond, D. Alfè,
N. L. Allan, F. R. Manby and M. J. Gillan, Bulk and surface
energetics of crystalline lithium hydride: Benchmarks from quantum
Monte Carlo and quantum chemistry, Phys. Rev. B 82,
165431
(2010). [Download]
 Y. Kita, M. Tachikawa, N. D. Drummond and R. J. Needs, A
variational Monte Carlo study of positronic compounds using
inhomogeneous backflow transformations, Chem.
Lett. 39, 1136
(2010). [Download]
 N. D. Drummond, P. López Ríos, C. J. Pickard and
R. J. Needs, Firstprinciples method for impurities in quantum
fluids: Positron in an electron gas, Phys. Rev. B 82,
035107
(2010). [Download]
 R. J. Needs, M. D. Towler, N. D. Drummond and P. López
Ríos, Continuum variational and diffusion quantum Monte
Carlo calculations, J. Phys.: Condens. Matter 22, 023201
(2010).
[Download]
 N. D. Drummond and R. J. Needs, Quantum Monte Carlo
calculation of the energy band and quasiparticle effective mass
of the twodimensional Fermi fluid, Phys. Rev. B 80,
245104 (2009).
[Download]
 C.R. Hsing, C.M. Wei, N. D. Drummond and R. J. Needs,
Quantum Monte Carlo studies of covalent and metallic clusters:
accuracy of density functional approximations, Phys. Rev. B
79, 245401
(2009). [Download]
 N. D. Drummond and R. J. Needs,
Phase diagram of the lowdensity twodimensional homogeneous
electron gas, Phys. Rev. Lett. 102, 126402
(2009). [Download]
 R. M. Lee, N. D. Drummond and R. J. Needs,
Exciton–exciton interaction and biexciton formation in
bilayer systems, Phys. Rev. B 79, 125308
(2009). [Download]
 N. D. Drummond and R. J. Needs, Quantum Monte Carlo study of
the ground state of the twodimensional Fermi fluid, Phys. Rev. B
79, 085414
(2009). [Download]
 N. D. Drummond, R. J. Needs, A. Sorouri and W. M. C. Foulkes,
Finitesize errors in continuum quantum Monte Carlo
calculations, Phys. Rev. B 78, 125106
(2008). [Download]
 N. D. Drummond and R. J. Needs, van der Waals interactions
between thin metallic wires and layers,
Phys. Rev. Lett. 99, 166401
(2007). [Download]
 N. D. Drummond, Nanomaterials: Diamondoids display their
potential, Nat. Nanotechnol. 2, 462 (2007).
[Download]
 P. López Ríos, A. Ma, N. D. Drummond, M. D. Towler
and R. J. Needs, Inhomogeneous backflow transformations in quantum
Monte Carlo, Phys. Rev. E 74, 066701
(2006). [Download]
 N. D. Drummond, P. López Ríos, A. Ma, J. R. Trail,
G. G. Spink, M. D. Towler and R. J. Needs, Quantum Monte Carlo
study of the Ne atom and the Ne^{+} ion,
J. Chem. Phys. 124, 224104
(2006). [Download]
 N. D. Drummond and R. J. Needs, Quantum Monte Carlo, density
functional theory, and pair potential studies of solid neon,
Phys. Rev. B 73, 024107
(2006). [Download]
 I. G. Gurtubay, N. D. Drummond, M. D. Towler and R. J. Needs,
Quantum Monte Carlo calculations of the dissociation energies of
threeelectron hemibonded radical cationic dimers,
J. Chem. Phys. 124, 024318
(2006). [Download]
 N. D. Drummond, A. J. Williamson, R. J. Needs and G. Galli,
Electron emission from diamondoids: a diffusion quantum Monte
Carlo study, Phys. Rev. Lett. 95, 096801
(2005). [Download]
 N. D. Drummond and R. J. Needs, Varianceminimization scheme
for optimizing Jastrow factors, Phys. Rev. B 72, 085124
(2005). [Download]
 A. Ma, M. D. Towler, N. D. Drummond and R. J. Needs, Scheme
for adding electron–nucleus cusps to Gaussian orbitals,
J. Chem. Phys. 122, 224322
(2005). [Download]
 A. Ma, M. D. Towler, N. D. Drummond and R. J. Needs,
Allelectron quantum Monte Carlo calculations for the noble gas
atoms He to Xe, Phys. Rev. E 71, 066704
(2005). [Download]
 M. Y. J. Tan, N. D. Drummond and R. J. Needs, Exciton and
biexciton energies in bilayer systems, Phys. Rev. B 71,
033303
(2005). [Download]
 N. D. Drummond, M. D. Towler and R. J. Needs, Jastrow
correlation factor for atoms, molecules, and solids, Phys. Rev. B
70, 235119
(2004). [Download]
 S.N. Luo, D. C. Swift, R. N. Mulford, N. D. Drummond and
G. J. Ackland, Performance of an ab initio equation of state
for MgO, J. Phys.: Condens. Matter 16, 5435
(2004). [Download]
 B. Wood, W. M. C. Foulkes, M. D. Towler and N. D. Drummond,
Coulomb finitesize effects in quasitwodimensional systems,
J. Phys.: Condens. Matter 16, 891
(2004). [Download]
 N. D. Drummond, Z. Radnai, J. R. Trail, M. D. Towler and
R. J. Needs, Diffusion quantum Monte Carlo study of
threedimensional Wigner crystals, Phys. Rev. B
69, 085116
(2004). [Download]
 N. D. Drummond and G. J. Ackland, Ab initio quasiharmonic
equations of state for dynamicallystabilized softmode materials,
Phys. Rev. B 65, 184104
(2002). [Download]
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