Computational Modelling Group

Dr Denis Kramer

Position
Lecturer
Institution
Engineering Sciences (FEE)
Webpage
http://www.southampton.ac.uk/engineering/about/staff/dk2u09.page
E-mail
d.kramer@soton.ac.uk
Contact
Complete this online contact form to contact Denis.

Denis Kramers research interests focus on electrochemical energy conversion technologies such as fuel cells and batteries. He mainly works at the interface between theory and experiment, combining state-of-the-art computational materials design (based on DFT) with advanced electrochemical characterisation and synthesis techniques to discover technology-enabling materials for these devices. His current interests include the electrochemistry of oxide surfaces, the thermodynamics of binary nano-particles, and phase stability of multi-component systems in aqueous environments.

Research Interests

Life sciences simulation: Biomedical

Physical Systems and Engineering simulation: Advanced Materials, Catalysis, Electromagnetism, Energy, Materials, Metals, Tribology

Algorithms and computational methods: Agent-Based Negotiation, Artificial Neural Networks, Density functional Theory, Distributed computing, Game Theory, Graph Theory, Molecular Dynamics, Molecular Mechanics, Monte Carlo, Multi-scale, Quantum Chemistry

Visualisation and data handling methods: Database

Simulation software: CASTEP

Visualisation and data handling software: Blender, MySQL, Oracle

Software Engineering Tools: Eclipse, SVN

Programming languages and libraries: C, C++, Fortran, Java, Mathematica, Matlab, MPI, Python

Computational platforms: HECToR, Iridis, Linux, Mac OS X

Transdisciplinary tags: Complex Systems, HPC, NGCM, Scientific Computing

Denis's team members

Jonathon Waters
Postgraduate Research Student, Engineering Sciences (FEE)

Joint projects with...

Ondrej Hovorka
Lecturer, Engineering Sciences (FEE)

Projects