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Dr Patrick Kiley

Dr Patrick Kiley

Postdoctoral Research Associate


Office Phone: +44 (0)1223 334 335

Biography:

I am interested in how biological systems are able to tune material properties through precise control of nanoscale morphology.  My research in this area focuses on full-length collagen and collagen mimetic systems.  I use DFT and highly parallelised atomistic modelling to understand the atomistic details of these systems.  In addition, I use nanoscale material characterisation methods, including vibrational spectroscopy and WAXS/SAXS. 

Subject groups/Research projects

Computational Modelling:

I am interested in combining DFT, atomistic modelling, and coarse-graining of atomistic systems to create a multi-scale approach to simulating biological and bioinspired materials.  The hierarchical nature of collagen lends itself to this approach.

Bioinspired Materials:

I am interested in the energetic properties of the collagen-solvent and collagen-mineral interface, both of which are known to affect its tensile properties.  Because collagen is the most abundant protein in the human body, where it serves as the principal load-bearing molecule in most tissues, including bones, teeth, and skin, understanding how this interface affects collagen stability and tensile properties is of biomedical importance.

Physical Characterisation of Nanomaterials:

Characterising nanomaterials often requires a wide range of methods to be applied simultaneously, and therefore can be a great challenge.  I am particularly interested in the combination of X-ray methods, such as Wide-angle and Small-angle X-ray scattering and diffraction and synchrotron micro/nano-beam scattering with the use of computational methods, including DFT, molecular dynamics and structural coarse-graining of atomistic systems.

Keywords

  • Macromolecular Materials
  • Quantum Calculations
  • Pharmaceutical Materials
  • Multiscale Modelling
  • Nanostructured Materials
  • Bioinspired Nanomaterials
  • Molecular Dynamics

RSS Feed Latest news

Multi-scale modelling of carbon nanotube reinforced crosslinked interfaces

Jan 28, 2017

A new paper by James A. Elliott and his Turkish collaborators Elif Ozden-Yenigun and Canan Atilgan is published in Computational Materials Science

Chirality-independent characteristic crystal length in carbon nanotube textiles measured by Raman spectroscopy

Jan 28, 2017

A new paper by John S. Bulmer, Thurid S. Gspann, Jon S. Barnard and James A. Elliott is published in Carbon.

MML Christmas Dinner 16-12-16

Dec 23, 2016

Wishing you all a Merry Christmas, from the Macromolecular Materials Lab.

High thermal conductivities of carbon nanotube films and micro-fibres and their dependence on morphology

Dec 12, 2016

A new paper by Thurid S. Gspann, Stefan M. Juckes, John F. Niven, Michel B. Johnson, James A. Elliott, Mary Anne White, Alan H. Windle is published in Carbon.

A summer tea time and farewell to Segio

Jul 22, 2016

The MML group had a nice tea time in the department on the hottest day of this summer. Dr Sergio Estravís has successfully finished his current research associate position in this summer. We wish Sergio has a greater success in the future.

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