Projects per year
Personal profile
Academic / Professional qualifications
Member of the Institute of Physics
Fellow of the Higher Education Academy
Personal Statement
My research focuses on (but is not limited to) soft-hard matter interfaces, including polymer composites and heterogeneous nucleation. I use multiscale simulations to provide insight into material properties and I enjoy collaborating closely with experimentalists. I am driven by curiosity and I am interested in a variety of systems, such as phase behaviour of soy milk coffee mixtures. For more information please visit my personal webpage:
http://personal.strath.ac.uk/karen.johnston/
Teaching Interests
My teaching philosophy is to provide the best learning environment by challenging students through providing questions related to everyday exampes, that develop student's understanding and problem solving skills.
I am the course organiser and lecturer for CP102 Introduction to Chemical Engineering: Fundamentals, Techniques and Tools, and I supervise CP407 design projects, 18350 MEng projects, and Distance Learning MSc projects.
Research Interests
Polymer composites are widely used in industry due to their strength, flexibility and light weight. Although generic properties of polymers at surfaces are well understood the interaction between a particular polymer and filler particle is not. The main challenge in simulating polymer-solid interfaces is the different length and time scales involved. This research bridges the gap between the micro- and mesoscale properties using a hierarchical multiscale approach. Density functional theory (DFT) calculations are used to obtain the detailed quantum interactions at the interface and this information is used to build surface potentials for atomistic and coarse-grained (CG) molecular dynamics simulations.
Expertise & Capabilities
- Density functional theory (DFT): electronic structure, adsorption and surface energies, vibrational frequencies etc.
- Molecular dynamics (MD) simulations: structure and dynamics of thin films, liquids, solutions, solids etc.
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
Education/Academic qualification
Doctor of Philosophy, Queen's University Belfast
Award Date: 1 Jan 2003
Master in Science, Queen's University Belfast
Award Date: 1 Jan 1999
Keywords
- Density functional theory; molecular dynamics
- Polymers
- Classical molecular dynamics simulations
- Multiscale modelling
- Interfaces
- Surfaces
- Adsorption
- Ferroelectrics
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Collaborations and top research areas from the last five years
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IBioIC CTP PhD studentship Optimisation of alginate films for sustainable food packaging applications
Johnston, K. (Principal Investigator) & Mulheran, P. (Co-investigator)
BBSRC (Biotech & Biological Sciences Research Council)
1/10/21 → 30/09/25
Project: Research - Studentship
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Analytical Chemistry Trust Fund summer bursary
Johnston, K. (Principal Investigator), Hamilton, A. (Co-investigator) & Sefcik, J. (Co-investigator)
Project: Research
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Molecular dynamics study of chitosan adsorption at a silica surface
Hudek, M., Johnston, K., Kubiak-Ossowska, K., Ferro, V. A. & Mulheran, P. A., 2 Dec 2024, (Accepted/In press) In: The Journal of Physical Chemistry C. 25 p.Research output: Contribution to journal › Article › peer-review
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The impact of plasticisers on crystal nucleation, growth and melting in linear polymers
Wadkin-Snaith, D., Mulheran, P. A. & Johnston, K., 3 Jun 2024, In: Polymer. 304, 27 p., 127095.Research output: Contribution to journal › Article › peer-review
Open AccessFile22 Downloads (Pure)
Datasets
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Data for: "Filler-induced heterogeneous nucleation of polymer crystals investigated by molecular dynamics simulations"
Wadkin-Snaith, D. (Creator), Mulheran, P. (Supervisor) & Johnston, K. (Supervisor), University of Strathclyde, 14 Jun 2023
DOI: 10.15129/c0f35a36-4f34-4548-b710-30ed929614a6
Dataset
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Data for: "Polyhydroxybutyrate: a review of experimental and simulation studies on the effect of fillers on crystallinity and mechanical properties"
Majerczak, K. (Creator), WADKIN-SNAITH, D. (Creator), Magueijo, V. (Creator), Mulheran, P. (Creator), Liggat, J. (Creator) & Johnston, K. (Creator), University of Strathclyde, 6 Apr 2022
DOI: 10.15129/36891b98-7209-409b-b7f9-8f68ac119ed8
Dataset
Prizes
Activities
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External examiner for PhD thesis defence
Johnston, K. (Examiner)
22 Nov 2024Activity: Examination types › Examination
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Institute of Physics (External organisation)
Johnston, K. (Advisor)
1 Oct 2024 → 30 Sept 2028Activity: Membership types › Membership of committee