🏸
Chemical Engineer interested in computational modeling using maths, mechanistic models, and data science
-
University of Notre Dame
- Notre Dame
Pinned Loading
-
Active-Learning-for-multicomponent-adsorption-in-a-MOF
Active-Learning-for-multicomponent-adsorption-in-a-MOF PublicAn Active learning algorithm for multi-component adsorption prediction in MOF
Python 5
-
Sequential-design-adsorption-for-small-molecules-in-MOFs
Sequential-design-adsorption-for-small-molecules-in-MOFs PublicSequential design of adsorption simulation for small molecule adsorption in a MOF
Python
-
Water-vapor-adsorption
Water-vapor-adsorption PublicThis is a code repository for routines developed for water vapor adsorption project in idealized structures.
Jupyter Notebook 1
-
ORCA-project-Li-ion-battery-material-discovery
ORCA-project-Li-ion-battery-material-discovery PublicThese are important tools written for working with ORCA (a computational chemistry open source package) in a super-computing environment. They include multiple job submission scripts (BASH), multip…
Something went wrong, please refresh the page to try again.
If the problem persists, check the GitHub status page or contact support.
If the problem persists, check the GitHub status page or contact support.