Computational Studies of Mineral Surface Reactivity
Access for time on Kebnekaise Abisko computers are sought for the research group of Professor Boily. Our computational efforts are aimed at elucidating molecular-scale details of interactions of mineral surfaces with their surroundings using both ab initio and molecular dynamics. We make notably use of the computer program Gromacs to achieve these goals, amongst a suite of other analysis programs which all require the computational power of the level of the HPC2N computers. Computational efforts carried out on Akka and Sarek have in the past years led to several publications, all acknowledging HPC2N.