MT
M. J. Gillan M. D. Towler
cond-mat.mtrl-sciphysics.comp-phcond-mat.str-elcond-matphysics.atm-clusphysics.chem-phquant-ph
On Valency
published · living versionsW_2btna8by·v1 · currentpublished
Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO
with D. Alfè, M. Alfredsson, J. Brodholt, R. J. Needs
1 version
W_h9dktyjg·v1published
W_x6ssmg5p·v1published
Preprints & journals
30 papers in the corpus · 1994–2025Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water-methane dimer.40919967 · Della Pia, Flaviano, Shi, Benjamin X, Al-Hamdani, Yasmine S et al.2025 · 9 citationsThe Journal of chemical physics. 2025;163(10)
Variational and Diffusion Quantum Monte Carlo Calculations with the CASINO Code2003.06506v1 · R. J. Needs, M. D. Towler, N. D. Drummond et al.2020 · 152 citationsJ. Chem. Phys. 152, 154106 (2020)
The lithium-thiophene riddle revisited.21877699 · Korth, Martin, Grimme, Stefan, Towler, Mike D2012 · 23 citationsThe journal of physical chemistry. A. 2011;115(42):11734-9
Ab initio quantum Monte Carlo study of the binding of a positron to alkali-metal hydrides.21823691 · Kita, Yukiumi, Maezono, Ryo, Tachikawa, Masanori et al.2011 · 34 citationsThe Journal of chemical physics. 2011;135(5):054108
Timescales for dynamical relaxation to the Born rule1103.1589v2 · M.D. Towler, N.J. Russell, A. Valentini2011 · 118 citationsProc. Roy. Soc. A 468, 990 (2012)
Quantum Monte Carlo computations of phase stability, equations of state, and elasticity of high-pressure silica.20457932 · Driver, K P, Cohen, R E, Wu, Zhigang et al.2010 · 55 citationsProceedings of the National Academy of Sciences of the United States of America. 2010;107(21):9519-24
Fundamental high-pressure calibration from all-electron quantum Monte Carlo calculations.20482190 · Esler, K P, Cohen, R E, Militzer, B et al.2010 · 41 citationsPhysical review letters. 2010;104(18):185702
Continuum variational and diffusion quantum Monte Carlo calculations.21386247 · Needs, R J, Towler, M D, Drummond, N D et al.2011 · 404 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2010;22(2):023201
Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule.19814556 · Kita, Yukiumi, Maezono, Ryo, Tachikawa, Masanori et al.2009 · 67 citationsThe Journal of chemical physics. 2009;131(13):134310
Unrestricted Hartree-Fock theory of Wigner crystals0909.5498v1 · J. R. Trail, M. D. Towler, R. J. Needs2009 · 51 citationsPhys. Rev. B 68, 045107 (2003)
Quantum Monte Carlo study of porphyrin transition metal complexes.19044853 · Koseki, Jun, Maezono, Ryo, Tachikawa, Masanori et al.2009 · 23 citationsThe Journal of chemical physics. 2008;129(8):085103
Scheme for adding electron-nucleus cusps to Gaussian orbitals0801.2742v1 · A. Ma, M. D. Towler, N. D. Drummond et al.2008 · 100 citationsA. Ma et al., J. Chem. Phys. 122, 224322 (2005)
Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals0801.0377v1 · N. D. Drummond, Z. Radnai, J. R. Trail et al.2008 · 95 citationsPhys. Rev. B 69, 085116 (2004)
Jastrow correlation factor for atoms, molecules, and solids0801.0378v1 · N. D. Drummond, M. D. Towler, R. J. Needs2008 · 365 citationsPhys. Rev. B 70, 235119 (2004)
Equation of state and Raman frequency of diamond from quantum Monte Carlo simulations.17358619 · Maezono, Ryo, Ma, A, Towler, M D et al.2007 · 47 citationsPhysical review letters. 2007;98(2):025701
Inhomogeneous backflow transformations in quantum Monte Carlo calculations.17280171 · López Ríos, P, Ma, A, Drummond, N D et al.2007 · 239 citationsPhysical review. E, Statistical, nonlinear, and soft matter physics. 2006;74(6 Pt 2):066701
Quantum Monte Carlo calculations of the dissociation energy of the water dimer.16999521 · Benedek, N A, Snook, I K, Towler, M D et al.2007 · 55 citationsThe Journal of chemical physics. 2006;125(10):104302
Quantum Monte Carlo study of the Ne atom and the Ne+ ion.16784260 · Drummond, N D, López Ríos, P, Ma, A et al.2007 · 41 citationsThe Journal of chemical physics. 2006;124(22):224104
Quantum Monte Carlo calculations of the dissociation energies of three-electron hemibonded radical cationic dimers.16422594 · Gurtubay, I G, Drummond, N D, Towler, M D et al.2007 · 26 citationsThe Journal of chemical physics. 2006;124(2):024318
All-electron quantum Monte Carlo calculations for the noble gas atoms He to Xe.16089908 · Ma, A, Drummond, N D, Towler, M D et al.2005 · 67 citationsPhysical review. E, Statistical, nonlinear, and soft matter physics. 2005;71(6 Pt 2):066704
Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgOcond-mat/0502510v1 · D. Alfe, M. Alfredsson, J. Brodholt et al.2005 · 65 citationsarXivon Valency
Interpretation of Hund's multiplicity rule for the carbon atom.15473780 · Hongo, Kenta, Maezono, Ryo, Kawazoe, Yoshiyuki et al.2006 · 42 citationsThe Journal of chemical physics. 2004;121(15):7144-7
Diamond and -tin structures of Si studied with quantum Monte Carlo calculationscond-mat/0407038v1 · D. Alfe, M. J. Gillan, M. D. Towler et al.2004 · 43 citationsarXiv
Oxygen stripes in La0.5Ca0.5MnO3 from ab initio calculations.14683268 · Ferrari, V, Towler, M, Littlewood, P B2004 · 72 citationsPhysical review letters. 2003;91(22):227202
Carbon clusters near the crossover to fullerene stabilityphysics/9909037v1 · P. R. C. Kent, M. D. Towler, R. J. Needs et al.1999 · 90 citationsarXivon Valency
Muonium as a hydrogen analogue in silicon and germanium; quantum effects and hyperfine parameterscond-mat/9908220v1 · A. R. Porter, M. D. Towler, R. J. Needs1999 · 48 citationsarXiv
Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of siliconcond-mat/9804010v1 · P.R.C.Kent, Randolph Q.Hood, M.D.Towler et al.1998 · 44 citationsarXiv
Magnetic interactions and the cooperative Jahn-Teller effect in KCuF3.9980064 · Towler, Dovesi, Saunders2019 · 90 citationsPhysical review. B, Condensed matter. 1995;52(14):10150-10159
Ab initio study of the surface and interfacial properties of a layered MgO/NiO film.9981728 · Towler, Harrison, McCarthy2019 · 38 citationsPhysical review. B, Condensed matter. 1995;52(7):5375-5384
Ab initio study of MnO and NiO.9976841 · Towler, Allan, Harrison et al.2019 · 480 citationsPhysical review. B, Condensed matter. 1994;50(8):5041-5054
Career total: 72 works. 30 are in this corpus.
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