Projects per year
My research interests lie in modelling and understanding nucleation and growth of nanostructures, and I aim to control these to engineer new technologies. For example, I research the growth of nanoporous gels that have various applications such as adsorbents for water purification. I also research how biomolecules such as anti-bodies interact with various materials to create bio-medical devices. I was educated as a Theoretical Physicist at both undergraduate and doctoral level, and use my experience to develop a strong analytical ethos in my teaching activities, which include programming and problem solving skills. I am the Director of Archie-West, Strathclyde’s High Performance Computing Centre that caters for the local community of industry and universities.
Available Funded PhD Project:
Design of functional chitosan films: antimicrobial applications
Other PhD project available:
Inhibiting amyloid development using natural compounds: a molecular dynamics study
My research interests lie in the domain of materials modelling, including biomolecular interactions with inorganic materials, where a lot of my work is performed in close collaboration with Dr Karina Kubiak-Ossowska from the Department of Physics at Strathclyde. My current funded projects include:
- Designing vaccines to create antibodies that can be used for cancer therapies; Designing new strategies to conjugate antibodies to nanoparticles to create novel diagnostics and therapeutics; Designing heavy-metal adsorbents using chitosan. All of these projects are funded by the BBSRC as part of the IBioIC-CTP.
- Modelling particulate drying processes, relevant to the crucial isolation of pharmaceuticals. This project is funded by an EPSRC iCASE award.
- A NERC-funded project to design compostable bio-composite plastic films for food packaging, as part of the drive to replace oil-derived plastics and reduce land-fill.
- A Knowledge Transfer Partnership project working on the design and automation of an algae production process.
I have extensive collaboration with colleagues through Strathclyde, including Ashleigh Fletcher, Karen Johnston, Jan Sefcik, Chris Price, Yi-Chieh Chen from CPE, and Val Ferro (SIPBS), Michael Grinfeld (Mathematics and Statistics), Olaf Rolinski (Physics). My external research collaborators include Dr Barbara Jachimska at the Jerzy Haber Institute, Cracow, part of the Polish Academy of Science, with whom we exchange PhD students to collaborate on theranostic systems. I also work closely with a number of SMEs including The Antibody Company and Cuantec, as well as large organisations including Astra Zeneca.
Further details of my research can be found in my publications, a full list is available on: http://www.researcherid.com/rid/E-3999-2012
Expertise & Capabilities
My expertise and capabilities include:
- Classical Molecular Dynamics simulations;
- Long time-scale simulations using saddle-point searches and Temperature Accelerated Dynamics;
- Materials modelling for oxides such as titania, silica, ZnO;
- Theory of nucleation and growth at surfaces (e.g. rate equations, distribution fixed point equations and scaling);
- Monte Carlo simulation
Most of my research projects (see above) are undertaken in partnership with industry partners.
My work as Operational Director for Archie-West (www.archie-west.ac.uk) involves direct support for local industry. These clients use our High Performance Computing service, which includes dedicated support to facilitate their work, to address problems on a scale and throughput which is not available with local workstations, thus giving them a competitive advantage. We are developing our capabilities to include GPU servers designed for Machine Learning, aligned to high-performance big data storage. Archie-west also provides a focal point for academia-industry collaboration in the region.
I currently teach the following classes:
CP409 Problem Solving, including dimensional analysis and modelling;
CP529 Programming and Optimisation, using Visual Basic with Excel to provide a versatile platform for engineering applications;
18530 Project, including research projects within my group as well industrial and Erasmus placements.
Doctor of Science, University of Exeter
Award Date: 1 Jan 1991
Bachelor of Science, University of Exeter
Award Date: 1 Jan 1986
- Classical molecular dynamics simulations
KTP - ScotBio. Intensifying production requires sophisticated monitoring and control solutions. The project will deliver expertise in chemical and process engineering and will shorten time to market and help automate key processes.
9/11/20 → 8/05/23
Advancing computational analysis of porous materials – modelling three-dimensional gas adsorption in organic gelsMartin, E., Prostredny, M., Fletcher, A. & Mulheran, P., 25 Feb 2021, In: Journal of Physical Chemistry B. 125, 7, p. 1960-1969 10 p.
Research output: Contribution to journal › Article › peer-reviewOpen AccessFile3 Downloads (Pure)
Farouq, M. A. H., Al Qaraghuli, M. M., Kubiak-Ossowska, K., Ferro, V. A. & Mulheran, P. A., 23 Apr 2021, In: Current Opinion in Colloid and Interface Science . 101461.
Research output: Contribution to journal › Article › peer-review
Paul Mulheran (Invited speaker)14 May 2019 → 17 May 2019
Activity: Talk or presentation types › Invited talk