Researcher List
List of researchers using the EaStCHEM RCF with keywords describing their specialities. You can search the page for a particular person or for a particular keyword. It is hoped that this page will be a useful resource for people to set up collaborations or to just know who to ask any questions you may have.
If you would like to be added to the page or to have your entry altered then please let me know.
Dr Andrew Turner EaStCHEM Research Computing Officer
Contact: andrew.turner@ed.ac.uk | http://www.eastchem.ac.uk/rcf
Keywords: ab initio, DFT, classical, molecular dynamics, vibration, fortran, perl, shell script, MPI, programming
Dr Herbert Fruchtl EaStCHEM Research Computing Officer
Contact: herbert.fruchtl@st-andrews.ac.uk | http://www.eastchem.ac.uk/rcf
Keywords: ab initio, DFT, semi-empirical, surface, fortran, shell script, MPI, OpenMP, programming
David Martins Postgraduate student of the Morrison and Pulham groups
Contact: David.martins@ed.ac.uk | http://homepages.ed.ac.uk/cam01/David.html
Keywords: short/strong hydrogen bonds, proton migration, proton transfer, solid state, computational chemistry, ab-initio, DFT, molecular dynamics, vibrations, molecular crystals, hydrogen bonding, high-pressure crystallography and high-temperature crystallography.