Publications, current projects and talks
Mike Towler
Currently I am working on:
 The development of the quantum Monte Carlo method and our implementation of it in the code "CASINO".
 Foundational issues in quantum mechanics, focussing on realist approaches such as the de BroglieBohm pilotwave theory
 The development of practical pilotwave quantum trajectory simulation methods  as implemented in my computer code "LOUIS"  and their possible relevance for QMC calculations.
 Algebraic approaches to quantum theory (with Basil Hiley).
 Physics education (through my conference centre) and various potential projects in Africa.
Scientific articles
For translations and creative writing, see the list further down the page
 62.
Variational and diffusion quantum Monte Carlo calculations with the CASINO code
R.J. Needs, M.D. Towler, N.D. Drummond, P. López Ríos, and J.R. Trail
J. Chem. Phys. 152, 154106 (2020).
[PDF]
 61.
Benchmarking the performance of density functional theory and pointcharge force fields in their description of sI methane hydrate against diffusion Monte Carlo
S.J. Cox, M.D. Towler, D. Alfè, and A. Michaelides
J. Chem. Phys. 140, 174703 (2014).
[PDF]
 60.
Quantum Monte Carlo and highlevel ab initio molecular orbital investigation of dissociation channels of the positronic alkalimetal hydrides, [XH;e^{+}] (X=Li, Na, and K)
Y. Yamada, Y. Kita, M. Tachikawa, M.D. Towler, and R.J. Needs
Eur. Phys. Journal D, 68, 63 (2014).
[PDF]
 59.
Energetics of waters clusters: assessing the accuracy of quantum Monte Carlo
and density functional theory
M.J. Gillan, F.R. Manby, M.D. Towler and D. Alfè
J. Chem. Phys. 136, 244105 (2012)
http://dx.doi.org/10.1063/1.4730035
[PDF]
 58.
Timescales for dynamical relaxation to the Born rule
M.D. Towler, N.J. Russell and A. Valentini
Proc. Roy. Roc. A 468, 9901013 (2012)
[online], [PDF]
 57.
Petascale computing opens new vistas for quantum Monte Carlo
M.J. Gillan, M.D. Towler and D. Alfè
Psik Highlight of the Month (February 2011)
[PDF]
 56.
Ab initio quantum Monte Carlo study of the binding of a positron to alkalimetal
hydrides
Y. Kita, R. Maezono, M. Tachikawa, M.D. Towler and R. J. Needs
J. Chem. Phys 135, 054108 (2011)
[PDF]
 55.
Quantum Monte Carlo, or, how to solve the manyparticle Schrödinger equation accurately whilst retaining favourable scaling with system size
M.D. Towler
in 'Computational Methods for Large Systems' (Wiley, 2011).
[PDF]
 54.
The lithiumthiophene riddle revisited
M. Korth, S. Grimme and M.D. Towler
J. Chem. Phys. 115, 11734 (2011)
[PDF]
 53.
Quantum Monte Carlo computations of phase stability, equations of state, and elasticity of highpressure silica
K.P. Driver, R.E. Cohen, Z. Wu, B. Militzer, P. López Ríos, M.D. Towler, R.J. Needs and J.W. Wilkins
Proc. Natl. Acad. Sci. USA, 107, 9519 (2010).
[online]
 52.
Fundamental highpressure calibration from allelectron quantum Monte Carlo calculations
K.P. Esler, R.E. Cohen, B. Militzer, J. Kim, R.J. Needs and M.D. Towler
Phys. Rev. Lett. 104, 185702 (2010).
[PDF]
 51.
Benchmark allelectron ab initio quantum Monte Carlo calculations for small molecules
N. Nemec, M.D. Towler and R.J. Needs
J. Chem. Phys. 132, 034111 (2010).
[PDF]
 50.
Continuum variational and diffusion quantum Monte Carlo calculations
R.J. Needs, M.D. Towler, N.D. Drummond and P. López Ríos.
J. Phys.: Condens. Matter 22, 023201 (2010).
[PDF]
 49.
Pilot waves, Bohmian metaphysics, and the foundations of quantum mechanics
M.D. Towler (2009)
[online]
 48.
Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule
Y. Kita, R. Maezono, M. Tachikawa, M.D. Towler and 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. López Ríos, 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. López Ríos, 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 threeelectron 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 B1B2 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 electronnucleus cusps to Gaussian orbitals
A.Ma, N.D. Drummond, M.D. Towler and R.J. Needs
.
J. Chem. Phys. 122, 224322 (2005).
[PDF]
 37. Allelectron 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 quasi2d 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 threedimensional 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
Psik Newsletter "Scientific Highlight of the Month" December 2003
 30. Oxygen stripes in La_{0.5}Ca_{0.5}MnO_{3} 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 B_{i}N_{i} 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 HartreeFock theory of Wigner crystals
J.R. Trail, M.D. Towler and R.J. Needs
Phys. Rev. B 68, 045107 (2003)
[PDF]
.
 26.
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
 25.
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.143155 (World Scientific, 2002).
 24.
Electronic structure of ptype conducting transparent oxides
J. Robertson, P.W. Peacock, M.D. Towler and R.J. Needs
Thin Solid Films 411, 96 (2002).
 23.
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]
 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 excitedstate wave functions for quantum Monte
Carlo: Application to silane and methane
A.R. Porter, O.K. AlMushadani, 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
correlatedelectron 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 solidstate electronic structure calculations
M.D. Towler
Notes for Summer School "Ab initio modelling in solidstate 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, 23302337 (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 onebody
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, 181205 (1996)
[HTML]
 11. The use and optimization of Gaussian basis sets
in periodic HartreeFock calculations
M.D. Towler
Proceedings of HCM Network School "HartreeFock 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 Lidoped NiO
from HartreeFock 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 carbondoped
silicon
R. Orlando, P. Azavant, M.D. Towler, R. Dovesi and C. Roetti
J. Phys.: Cond. Matt. 8, 11231133 (1996)
[PDF]
 8. Magnetic interactions and the cooperative JahnTeller
effect in KCuF_{3
}
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 HartreeFock description of M_{x}Mg_{1x}O (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 pressureinduced phase transition
in MgF_{2
}
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 HartreeFock 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:

Tales from the Disaster Zone (January 2010)
[online, PDF]

Sammy and the Eagle (April 2008)
M.D. Towler
[online, PDF]

Bronze Hermaphrodites and the Fat Boy Filter
(December 2007)
M.D. Towler
[online, PDF]

The Palace of Ismeno (August 2007)
M.D. Towler
[online, PDF]

First Post (March 2007)
M.D. Towler
[online]
Talks presented (* = invited)
63*. Accurate solutions of the Schrödinger equation for big systems and why they are useful (Oxford University Physics Society, 2012)
62. Some thoughts about Quantum Monte Carlo and molecular dynamics (Cambridge, U.K., 2012)
61*. Quantum Monte Carlo, density functional theory, and manybody physics ('Band structure meets manybody theory' summer school, Vienna University, Austria, 2012)
60. Massivelyparallel QMC calculations: CPUs, GPUs, and DMC molecular dynamics (Vallico Sotto, Italy, 2012)
59*. The quantum theory of de Broglie and Bohm: twists and turns in quantum foundations (University College London, U.K. 2012)
58. A brief discussion about weak measurements (Cambridge, U.K. 2012)
57. Perfect parallel scaling for quantum Monte Carlo on hundreds of thousands of cores (Cambridge, U.K. 2012)
56. Art and physics (Royal Academy of Engineering, London, U.K, 2011). Text here.
55*. Numerical simulations of the emergence of quantum mechanics (University of Vienna, Austria, 2011)
54*. Further results in outofequilibrium quantum physics (Clemson University, U.S.A. 2011)
53*. The quantum theory of de Broglie and Bohm: a challenge to orthodox quantum mechanics (Oxford University Physics Society, Oxford, 2011)
52*. The Coriolis force (Queen Mary University, London, 2011)
51*. Quantum Monte Carlo  a practical solution to the correlation problem in electronic structure calculations (Queen Mary University, London, 2011)
50*. The quantum theory of de Broglie and Bohm: a challenge to orthodox quantum mechanics (Chemisch Physikalische Gesellschaft, Vienna, Austria, 2010)
49*. Quantum Monte Carlo  a practical solution to the correlation problem in electronic structure calculations (Vienna University of Technology, Austria, 2010)
48*. A dangerous but enlightening journey (Basil Hiley 75th birthday Fest, Helsinki, Finland, 2010)
47. Origin of the Born rule (Vallico Sotto, Italy, 2010)
46. 21stcentury directions in de BroglieBohm theory and beyond  an introduction (Vallico Sotto, Italy, 2010)
45. The magic of moving nodes (Vallico Sotto, Italy, 2010)
44. Dynamical relaxation to quantum equilibrium: introducing the LOUIS code (Cambridge, U.K., 2010)
43. Exchange, antisymmetry, and Pauli repulsion (Cambridge, U.K., 2010)
42*. Quantum Monte Carlo  a practical solution to the correlation problem in electronic structure calculations (Torino, Italy, 2009)
41*. The return of pilot waves, or, why Bohr, Heisenberg, Pauli, Born, Schrödinger, Oppenheimer, Feynman, Wheeler, von Neumann and Einstein were all wrong about quantum mechanics (Cambridge University Physical Society, Cambridge, U.K., 2009)
40. Pilot waves, Feynman path integrals, and quantum Monte Carlo (Vallico Sotto, Italy, 2009)
39*. Quantum Monte Carlo  is it of any use in quantum chemistry? (Oxford, U.K., 2009)
38. Bohmian metaphysics: the implicate order and other arcana (Cambridge, U.K., 2009)
37. Not even wrong. Why does nobody like pilotwave theory? (Cambridge, U.K., 2009)
36. Calculating things with quantum trajectories (Cambridge, U.K., 2009)
35. Nonlocality, relativistic spacetime, and quantum equilibrium (Cambridge, U.K., 2009)
34. The theory of measurement and the origin of randomness (Cambridge, U.K., 2009)
33. Elementary wave mechanics and pilot waves, with nice examples (Cambridge, U.K., 2009)
32. Pilot waves and the classical limit. Derivation and justification of the theory (Cambridge, U.K., 2009)
31. An introduction to pilotwave theory (Cambridge, U.K., 2009)
30. De Broglie and Bohm's solution to the QM interpretation problem, together with reflections on possible connections with quantum Monte Carlo (Vallico Sotto, Italy, 2008)
29. Another look at pilot wave theory (Cambridge, Italy, 2008)
28*. Recent developments in quantum Monte Carlo: moving the atoms (Thomas Young Centre, London, U.K., 2007)
27. The calculation of expectation values in quantum Monte Carlo (Vallico Sotto, Italy, 2006)
26. Recent progress in quantum Monte Carlo methods, (Lyon, France, 2005)
25. Localized orbitals and localized basis sets (Vallico Sotto, Italy, 2005)
24. Quantum Monte Carlo and the metalinsulator transition (Vallico Sotto, Italy, 2005)
23*. Quantum Monte Carlo : practical issues, solidstate applications and the CASINO programme (Trieste, Italy, 2004, three lectures)
22. Coupled quantum Monte Carlo and molecular dynamics (Cambridge, U.K., 2004)
21*. Quantum Monte Carlo and materials physics (Tsukuba, Japan, 2003)
20. The fermion sign problem (Cambridge, U.K., 2003)
19*. Metalinsulator transitions (Melbourne, Australia, 2003)
18*. The quantum Monte Carlo method (Melbourne, Australia, 2003, three lectures)
17. Metalinsulator transitions (Cambridge, U.K., 2001)
16*. The CASINO program : QMC in molecular quantum chemistry and condensed matter physics (Trento, Italy, 2001)
15. An introduction to the quantum Monte Carlo method (Cambridge, U.K., 2000)
14*. The basis set problem in solidstate electronic structure theory (Torino, Italy, 2000)
13*. An introduction to the the quantum Monte Carlo method (Torino, Italy, 2000)
12. Noncollinear spins from first principles (Cambridge, U.K., 2000)
11*. Overview of research in electronic structure theory in the Cambridge TCM group (for international assessment panel, Cambridge, U.K., 2000)
10*. Quantum Monte Carlo calculations of crystalline materials (Leicester, U.K., 1999)
9. Quantum Monte Carlo calculations of excited states (Aspen, U.S.A., 1998)
8. Strongly correlated materials in electronic structure theory (Aspen, U.S.A., 1998)
7. Strongly correlated materials in electronic structure theory (Cambridge, U.K., 1997)
6. The transactional interpretation of quantum mechanics (Cambridge, U.K., 1997)
5*. The use and optimization of Gaussian basis sets in periodic HartreeFock calculations~(Torino, Italy, 1995)
4. Equations of state at high pressures and elevated temperatures (Colorado Springs, U.S.A., 1994)
3. The physics of Mott insulators (Birmingham, U.K., 1994)
2. The physics of Mott insulators (Bristol, U.K., 1993)
1. The defect chemistry of lithium niobate (Bristol, U.K., 1993)
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Towler's homepage)