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Samuel Brown

Supervisor: Dr. David Quigley

I am a PhD research student in the Warwick Physics Theory group. Previously, I graduated from the University of Warwick in 2012 with a first class honours MPhys BSc. During my undergraduate studies I investigated Bohmian quantum mechanics with Prof. Rudolf Roemer and modelled sickled red blood cells with Dr. Ellak Somfai.

My Research

I am investigating 'nanowires', carbon nanotubes with crystal cores [1]. These low-dimensional novel materials have properties very different from those of bulk systems, and our simulations aim to guide experiments towards the most promising candidate systems. Particularly exciting is the prospect of controllable phase-change due to e.g. bending [2], for example between insulating and semi-conducting states.

Sloan STEM image of one of my CNT-encapsulated AgI samples

My primary approach is Density Functional Theory (DFT) quantum mechanics, though I am very interested in developing a machine-learning approach to vastly speed up these simulations. A favourite candidate is Bartók's GAP models [3], involving Gaussian Process Regression.

I am also interested in charge-transfer between nanotube and core.

pretty CT

[1] Hong et. al., Eur. J. Inorg. Chem., Vol. 2010(27), pp. 4233-4243 (2010)

[2] Sloan, Kirkland, Hutchinson & Green, C. R. Physique 4, 1063-1074 (2003)

[3] Bartók, Payne, Kondor & Csányi, Phys. Rev. Lett., 104, 136403 (2010)


CollaborationsEntangled Graphical Abstract



Conferences, Courses and Workshops

  • CECAM Workshop, Machine Learning in Atomistic Simulations, Lugano, Sept. 2012
  • CCP5 Workshop, Modelling Thin Film and Monolayer Growth on Solid Substrates, Warwick, Nov. 2012
  • MDNet/CCP5 Conference, Mathematical Challenges of Molecular Dynamics, Warwick, April 2013
  • NAG/HECTor Course, Debugging, Profiling and Optimization, Manchester, May 2013
  • ONETEP Masterclass, Cambridge, August 2013
  • ARCHER Technical Forum Webinar, Python for HPC: Tools and performance, February 2014

  • ARCHER Technical Forum Webinar, Vectorisation and optimising for processor architecture, March 2014

  • Warwick IAS Workshop, Microtubules: Experimental & Theoretical Perspectives, Warwick, May 2014
  • EPCC Course, Programming the Xeon Phi, Bristol, June 2014
  • EPSRC Summer School, Physics by the Lake, Chicheley Hall, August 2014
  • MidPlus Workshop, Computing Matters, Warwick, January 2015
  • CMS 2015 (Computational Molecular Science), Warwick, March 2015
  • IOP Theory of Condensed Matter Group Scientific Meeting, Warwick, June 2015
  • CCP5 AGM 2015, Lancaster, September 2015
  • PyConUK, Coventry, September 2015
  • Launch of Cambridge/Warwick collaboration: Nano-confined phase change materials, Warwick, November 2015
  • Nano-confined phase change materials workshop, Cambridge, March 2016


Talks and Presentations

  • Postgraduate Seminar, Warwick, November 2013
  • Physics Theory Group Seminar, Warwick, May 2014
  • Center for Scientific Computing, Warwick, December 2014
  • IOP Theory of Condensed Matter Group Scientific Meeting, Warwick, June 2015 (Poster won 1st-prize)
  • Postgraduate Seminar, Warwick, November 2015
  • Nano-confined phase change materials collaboration launch, Warwick, November 2015
  • Nano-confined phase change materials workshop, Cambridge, March 2016


Teaching


Links I Like


Sam Brown

Poster&me1

email: S dot F dot Brown at warwick dot ac dot uk

Office: PS131

Phone: 024 765 73883

Write to: Department of Physics, University of Warwick, Coventry, CV4 7AL