Maginn Research Group
- 36 followers
- University of Notre Dame
- https://maginnlab.nd.edu/
- @ejmaginn
- ed@nd.edu
Pinned Loading
Repositories
- ES-FFO-Public Public
ES-FFO-Public is a repository used to rapidly calibrate the LJ parameters of electrolyte solvent forcefields given experimental data. The key feature of this work is using machine learning tools in the form of Gaussian processes (GPs) which allow us to cheaply estimate the results of a molecular simulation
- ES-FFO Public Forked from dowlinglab/HFC-FFO
Machine Learning Enabled Development of Accurate Force Fields for Electrolyte Solvents
- TC_Structure_ILHFC Public
GitHub repository to accompany the research paper titled, "Nanostructural Transformations in Ionic Liquid–Hydrofluorocarbon Mixtures and Their Impact on Thermal Conductivity"
- TC-HFD-Correlation Public
Repository for the paper: "Accurate Calculation of the Thermal Conductivity of Liquids from Molecular Dynamics Using a Heat Flux Decomposition Correction"
- genFF_public Public
- GCGP Public
Property prediction method integrating group contribution and Gaussian process regression models
- AL-MD-EXP-TransProp Public
- CSP-LD-MD-Paper Public
People
This organization has no public members. You must be a member to see who’s a part of this organization.
Top languages
Loading…
Most used topics
Loading…