Publications and current projects
Mike Towler
Currently I am working on:
- The development of the quantum Monte Carlo method and our implementation of it in the CASINO code
- Foundational issues in quantum mechanics, particularly pilot-wave methods
Submitted and published scientific papers
For translations and creative writing, see the list at the bottom of the page
- 54.
Quantum Monte Carlo, or, how to solve the many-particle Schrödinger equation accurately whilst retaining favourable scaling with system size
M.D. Towler
To be published in Computational Methods for Large systems (Wiley, 2009)
[PDF]
- 53.
Fundamental high-pressure scale from all-electron quantum Monte calculations
K.P. Esler, R.E. Cohen, B. Militzer, J. Kim, R.J. Needs, and M.D. Towler
Submitted to Physical Review Letters (2009)
- 52.
Benchmark ab initio quantum Monte Carlo calculations for small molecules using Slater and Gaussian basis sets
N. Nemec, M.D. Towler and R.J. Needs
Submitted to J. Chem. Phys. (2009).
[PDF]
- 51.
High-temperature high-pressure properties of silica from quantum Monte Carlo
K.P. Driver, R.E. Cohen, Z. Wu, B. Militzer, P. Lopez Rios, M.D. Towler, R.J. Needs, and J.W. Wilkins
Submitted to Nature (2009)
- 50.
Pilot waves, Bohmian metaphysics, and the foundations of quantum mechanics
M.D. Towler (2009)
[online]
- 49.
Continuum variational and diffusion quantum Monte Carlo calculations
R.J. Needs, M.D. Towler, N.D. Drummond and P. Lopez Rios.
Submitted to J. Chem. Phys. (2009)
[PDF]
- 48.
Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule
Y. Kita, R. Maezono, M. Tachikawa, M.D. Towler, R.J. Needs
J. Chem. Phys. 131, 134310 (2009)
[PDF]
- 47.
Quantum Monte Carlo study of porphyrin transition metal complexes
J. Koseki, R. Maezono, M. Tachikawa, M.D. Towler and R.J. Needs
J. Chem. Phys., 129, 085103 (2008).
[PDF]
- 46.
Fragmentation method combined with quantum Monte Carlo calculations
R. Maezono, H. Watanabe, S. Tanaka, M.D. Towler, and R.J. Needs
J. Phys. Soc. Jpn., 76, 064301 (2007).
- 45.
Equation of state and Raman frequency of diamond from quantum Monte Carlo
R. Maezono, A. Ma, M.D. Towler, and R.J. Needs
Phys. Rev. Lett., 98, 025701 (2007).
[PDF]
- 44.
Inhomogeneous backflow transformations in quantum Monte Carlo
P. Lopez Rios, A. Ma, N.D. Drummond, M.D. Towler and R.J. Needs
Phys. Rev. E, 74, 066701 (2006).
[PDF]
- 43.
Quantum Monte Carlo calculations of the dissociation energy of the water dimer
N.A. Benedek, I.K. Snook, M.D. Towler, and R.J. Needs
J. Chem. Phys, 125, 104302 (2006).
- 42.
The Quantum Monte Carlo method
M.D. Towler
Phys. Stat. Sol.(b) 243, 2573 (2006).
[PDF]
- 41.
Quantum Monte Carlo study of the Ne atom and the Ne+ ion
N.D. Drummond, P. Lopez Rios, A. Ma, J.R. Trail, G. Spink, M.D. Towler and R.J. Needs
J. Chem. Phys. 124, 224104 (2006).
[PDF]
- 40. Quantum Monte Carlo calculations of the disociation
energies of three-electron hemibonded radical cationic dimers
I.G. Gurtubay, N.D. Drummond, M.D. Towler and R.J. Needs
J. Chem. Phys. 124, 024318 (2006).
[PDF]
- 39.
Quantum Monte Carlo calculation of the structural properties and the B1-B2 phase transition of MgO
D. Alfè, M. Alfredsson, J. Brodholt, M.J. Gillan, M.D. Towler and R.J. Needs
Phys. Rev. B 72, 014114 (2005)
[PDF]
- 38. Scheme for adding electron-nucleus cusps to Gaussian orbitals
A.Ma, N.D. Drummond, M.D. Towler and R.J. Needs
.
J. Chem. Phys. 122, 224322 (2005).
[PDF]
- 37. All-electron diffusion quantum Monte Carlo calculations for the noble gas atoms He to Xe
A. Ma, N.D. Drummond, M.D. Towler and R.J. Needs
.
Phys. Rev. E 71, 066704 (2005)
[PDF]
- 36.
Diamond and betatin structures of Si studied with
quantum Monte Carlo calculations
D. Alfè, M.J. Gillan, M.D. Towler and R.J. Needs
Phys. Rev. B 70, 214102 (2004)
[PS]
- 35.
Interpretation of Hund's multiplicity rule for the carbon atom
K. Hongo, R. Maezono, Y. Kawazoe, H. Yasuhara, M.D. Towler and R.J. Needs
J. Chem. Phys., 121, 7144 (2004)
[PDF]
- 34. Jastrow correlation factor for atoms, molecules and solids
N.D. Drummond, M.D. Towler and R.J. Needs
.
Phys. Rev. B, 70, 235119 (2004)
[PDF]
- 33. Coulomb finite size effects in quasi-2d systems
B. Wood, W.M.C. Foulkes, M.D. Towler and N.D. Drummond
.
J. Phys.: Cond. Mat. 16, 891 (2004)
[PDF]
- 32. Diffusion quantum Monte Carlo study of three-dimensional Wigner crystals
N.D. Drummond, Z. Radnai, J.R. Trail, M. D. Towler, and R.J. Needs
.
Phys. Rev. B, 69, 085116 (2004)
[PDF]
-
31.
Quantum Monte Carlo and the CASINO program : highly accurate total energy calculations for finite and periodic systems
M.D. Towler
Psi-k Newsletter "Scientific Highlight of the Month" December 2003
- 30. Oxygen stripes in La0.5Ca0.5MnO3 from ab initio calculations
Valeria Ferrari, M.D. Towler and P.B. Littlewood
.
Phys. Rev. Lett. 91, 227202 (2003)
[PDF]
- 29.
Stability and aromaticity of BiNi rings and fullerenes
Jon M. Matxain, Jesus M. Ugalde, M.D. Towler and R.J. Needs
J. Phys. Chem. A 107, 10004 (2003)
[PDF]
- 28.
Quantum Monte Carlo study of sodium
Ryo Maezono, M.D. Towler, Y. Lee and R.J. Needs
Phys. Rev. B, 68, 165103 (2003)
[PDF]
- 27.
Unrestricted Hartree-Fock theory of Wigner crystals
J.R. Trail, M.D. Towler and R.J. Needs
Phys. Rev. B 68, 045107 (2003)
[PDF]
.
- 26.
Quantum Monte Carlo calculations for excited electronic states
R.J. Needs, A.R. Porter and M.D. Towler
Recent Advances in Quantum Monte Carlo Methods, II, eds. W. A. Lester, S. Rothstein and S. Tanaka, pp.143-155 (World Scientific, 2002).
- 25.
Electronic structure of p-type conducting transparent oxides
J. Robertson, P.W. Peacock, M.D. Towler and R.J. Needs
Thin Solid Films 411, 96 (2002).
- 24.
The CASINO program : quantum Monte Carlo in molecular quantum chemistry and condensed matter physics
M.D. Towler and R.J. Needs
"Quantum Monte Carlo: Recent Advances and Common Problems in Condensed Matter and Field Theory" (ETS, Pisa, 2001).
[gzipped postscript]
- 23.
The diffusion quantum Monte Carlo method: designing trial wave functions for NiO
R.J. Needs and M.D. Towler
Int. J. Mod. Phys. B17 5425 (2003)
download
- 22.
Quantum Monte Carlo calculations for ground and excited states
R.J. Needs, P.R.C. Kent, A.R. Porter, M.D. Towler and G. Rajagopal
Int. J. Quant. Chem. 86, 218 (2001)
[HTML]
- 21.
Excitons in small hydrogenated silicon clusters.
A.R. Porter, M.D. Towler and R.J. Needs
Phys. Rev. B 64, 035320 (2001)
[PDF]
- 20.
Electronic excited-state wave functions for quantum Monte
Carlo: Application to silane and methane
A.R. Porter, O.K. Al-Mushadani, M.D. Towler and
R.J. Needs
J. Chem. Phys.114, 7795 (2001)
[ PDF]
- 19. Carbon clusters near the crossover to fullerene stability
P.R.C. Kent, M.D. Towler, R.J. Needs and G. Rajagopal
Phys. Rev. B 62, 15394 (2000)
[ PDF]
- 18. Pseudopotentials for
correlated-electron calculations
Y. Lee, M.D. Towler, P.R.C. Kent, R.J. Needs and G. Rajagopal
Phys. Rev. B 62, 13347 (2000)
[ PDF]
- 17.
An introductory guide to Gaussian basis sets in solid-state electronic structure calculations
M.D. Towler
Notes for Summer School "Ab initio modelling in solid-state chemistry", Torino, September 2000.
[gzipped postscript]
- 16. Minimum principles and level splitting in quantum
Monte Carlo excitation spectra: application to diamond
M.D. Towler, R.Q. Hood and R.J. Needs
Phys. Rev. B 62, 2330-2337 (2000)
[ PDF]
- 15. Muonium as a hydrogen analogue in silicon and
germanium; quantum effects and hyperfine parameters
A.R. Porter, M.D. Towler and R.J. Needs
Phys. Rev. B 60, 13534 (1999)
[PDF]
- 14. Quantum Monte Carlo simulations of real solids
W.M.C. Foulkes, M. Nekovee, R.L. Gaudoin, M.L. Stedman, R.J. Needs,
R.Q. Hood, G. Rajagopal, M.D. Towler, P.R.C. Kent, Y. Lee, W.-K. Leung,
A.R. Porter and S.J. Breuer.
High Performance Computing, edited by R.J. Allan, M.F. Guest, A.D.
Simpson, D.S. Henty, and D.A. Nicole (Plenum) 1998.
[PDF]
- 13. Quantum Monte Carlo calculations of the one-body
density matrix and excitation energies of silicon
P.R.C. Kent, R.Q. Hood, M.D. Towler, R.J. Needs and G. Rajagopal
Phys. Rev. B 57, 15293 (1998)
[PDF]
- 12. Density functional theory in periodic systems
using local Gaussian basis sets
M.D. Towler, A. Zupan and M. Causà
Comp. Phys. Commun., 98, 181-205 (1996)
[HTML]
- 11. The use and optimization of Gaussian basis sets
in periodic Hartree-Fock calculations
M.D. Towler
Proceedings of HCM Network School "Hartree-Fock theory of the electronic
structure of solids" (1995)
[Read update of this article for 2000 Summer school instead: gzipped postscript]
- 10. Direct evidence of O(p) holes in Li-doped NiO
from Hartree-Fock calculations
W.C. Mackrodt, N.M. Harrison, V.R. Saunders, N.L. Allan and M.D.
Towler
Chem. Phys. Lett. 250, 66 (1996)
[gzipped postscript]
- 9. Cluster and supercell calculations for carbon-doped
silicon
R. Orlando, P. Azavant, M.D. Towler, R. Dovesi and C. Roetti
J. Phys.: Cond. Matt. 8, 1223 (1996)
[PDF]
- 8. Magnetic interactions and the co-operative Jahn-Teller
effect in KCuF3
M. D. Towler, R. Dovesi and V.R. Saunders
Phys. Rev. B 52, 10150 (1995)
[HTML],[PDF
file]
- 7. Ab initio study of the surface and interfacial
properties of a layered MgO/NiO film
M.D. Towler, M.I. McCarthy and N.M. Harrison
Phys. Rev. B 52, 5375 (1995)
[PDF]
- 6. Localized electron behaviour within band theory: a Hartree-Fock description of MxMg1-xO (M=Mn, Ni)
M. D. Towler, N.L. Allan, N.M. Harrison, V.R. Saunders and W.C.
Mackrodt
J. Phys.: Cond. Matt. 7, 6231 (1995)
[PDF]
- 5. Ab initio study of NiO and MnO
M.D. Towler, N.L. Allan, N.M. Harrison, V.R. Saunders, W.C. Mackrodt
and E. Aprà
Phys. Rev. B 50, 5041 (1994)
[PDF]
- 4. Calculated pressure-induced phase transition
in MgF2
N.L. Allan, R.I. Hines, M.D. Towler and W.C. Mackrodt
J. Chem. Phys. 100, 4710 (1994)
[PDF]
- 3. Equations of state for polar solids at high pressures
and elevated temperatures
M.D. Towler, R.I. Hines, N.L. Allan, M. Braithwaite and W.C. Mackrodt
High Pressure Science and Technology, ed. S.C. Schmidt, J.W.Shaner, G.A.Samara, 129 (1994)
- 2. Ab initio Hartree-Fock calculations of
CaO, VO, MnO and NiO
W.C. Mackrodt, N.M. Harrison, V.R. Saunders, N.L. Allan, M.D. Towler,
E. Aprà and R. Dovesi
Phil. Mag. A 68, 653 (1993)
- 1. Modelling Explosives
N.L. Allan, M.D. Towler, M. Braithwaite, D.L. Cooper and W.C. Mackrodt
in CCP5 Information Quarterly for Computer Simulation of Condensed Phases,
Ed. W. Smith, 36 (1992)
Translations
This stuff can be seen in context, with other relevant material and forthcoming translations, at the TTI local history site.
-
The Cave of Castelvenere (Translation of La Buca di Castelvenere)
P. Mencacci and M. Zecchini
(Transl. M.D. Towler 2007)
[PDF, or in context here]
-
An excursion to Mount Gragno and the cave of Cascaltendine (Translation of Una Gita alla Tana di Cascaltendine nel Monte di Gragno)
Pietro Magri, 1880
(Transl. M.D. Towler 2005)
[PDF, or in context here]
Creative Writing
I occasionally publishes local interest stories in my News from the Towler Institute 'blog' for Barga News. Here is the full collection of stories, in order of publication:
-
First Post (March 2007)
M.D. Towler
[online]
-
The Palace of Ismeno (August 2007)
M.D. Towler
[online, PDF]
-
Bronze Hermaphrodites and the Fat Boy Filter
(December 2007)
M.D. Towler
[online, PDF]
-
Sammy and the Eagle (April 2008)
M.D. Towler
[online, PDF]
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