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Dr. Dmytro Antypov |
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Leverhulme Research Centre for Functional Materials Design Materials Innovation Factory Department of Chemistry University of Liverpool Liverpool United Kingdom | |
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office: MIF 3/031 phone: +44 (0) 151 795 7156 e-mail: antypov@liverpool.ac.uk |
The series of images at the very top of this page represents two things:
1. The Challenge.
Since microscopic properties and mechanisms operating on a molecular scale define the bulk properties of materials, how can we use these properties to create better materials for technological applications?
2. The Solution.
In my work, I apply a multiscale computer modelling approach to study
functional materials used in batteries, separation, catalysis and other applications.
The idea is to develop a set of interconnected accurate theoretical models which capture the essential behaviour of these materials at different length and time scales:
- from electronic and atomic levels described by quantum mechanics,
- to molecular and supramolecular levels described by classical methods,
- to continuum models described by differential equations of bulk material properties.
This roughly translates into
- Chemistry,
- Physics and
- Engineering
with Mathematics and Computer Science being the glue that holds everything together.
I am a member of the Collaborative Computer Project 5 (CCP5), the Directed Asssembly Network, and the HPC Materials Chemistry Consortium.
