How good is your chemical intuition?

Welecome to the Wolverton group's metal detection challenge. The point of this game is to test whether the intuition of scientists is better than a model produced using machine learning.

Rules of the Game

1. Decide whether the given compound is a metal or non metal
2. All compounds are from the ICSD
3. Only the lowest-energy compound at a given composition is used
4. The electronic structure of each compound was determined using Density Functional Theory (DFT)
5. Metals are defined as compounds with a DFT band gap energy of 0
6. Band gaps energies were determined from the total electronic DOS
7. Calculations were performed with tetrahedral integration

Your Opponent

You will be competing against a model trained against 3000 randomly-selected compounds from the ICSD. See above for the rules governing which compounds were used. To create this model, 81 attributes were calculated for each compound and used to create decision rules with the rotation forest algorithm. These attributes include things like the average electronegativity of each element and the maximum difference between thier melting temperatures.

Some demographic information

To make the statistics about this more interesting, please let us know a little bit about you. Also, feel free to provide a user id if you want us to keep track of your scores.

User name:
Background: A What did you study? Materials Science Physics Chemistry Engineering Mathematics Biology Other
Employment: What is your title? Undergraduate Student Graduate/Professional Student Postdoctoral Scholar Research Scientist Faculty Other
Get Started!