ENKI users are engaged in a variety of interesting research projects.

ENKI user

Suzanne Birner

I have been using the ENKI portal primarily to incorporate the MELTS spinel activity model into geochemical models I've developed during my PhD at Stanford University. I am particularly interested in the oxygen fugacity of mantle rocks, and the calculation of this parameter depends strongly on the determination of magnetite activity in the spinel phase. Prior to the existence of ENKI, this calculation could only be done on a web applet, which made running large numbers of samples prohibitively time-consuming. With ENKI, I have now written a Jupyter notebook that performs the calculations quickly with very little user effort. Another bonus is that I can then easily incorporate these calculations directly into other models I develop. For instance, I am currently working on a model that predicts the evolution of recorded oxygen fugacity during sub-solidus cooling, which has important implications for what natural mantle samples can tell us about the thermodynamics of the Earth's interior.

ENKI user

Grayson Boyer

I have developed Jupyter notebook tools for the automation of geochemical data cleanup (charge balancing, etc.), and calculation of water sample chemical properties including speciation and mineral saturation states. These tools, built on the EQ3 code, automate complex quality control calculations for environmental water samples, reducing task time from weeks to moments and allowing easy statistical post-analysis of results. I am working to optimize the use of these notebooks for data mining of results from thousands of output files, taking advantage of ongoing projects by other members of Everett Shock's research group (GEOPIG) who have extensive sets of geochemical analytical data. I am also building notebooks to help with estimation of thermodynamic properties of membrane lipids using predictive tools developed in his recently defended PhD research. I am considering an offer of a post-doc position in GEOPIG to expand my use of data science tools to manage geochemical data and to generate and interpret results of speciation calculations.

ENKI user

Juliane Dannberg

Integration of computational thermodynamics into ASPECT

My goal is to interface the freely available CIG modeling software ASPECT with the high-performance, custom libraries of thermodynamic modeling software under development by PI Spiegelman in order to make large-scale, 3D cosmputations of coupled geodynamic/thermodynamic models available to a wide range of users.

  More coming soon.