iCrucible

iCrucible is an AI tool for Materials Science. Using this app, you can learn about how AI tools work for materials screening, and may discover candidate compounds. Learn more at our website: https://www.rimcs.co.jp/

iCrucible makes a prediction of a ternary system on your iPhone or iPad without external services, using graph neural networks and crystal prototype databases bundled in the app. You can watch the phase diagram redrawn at the end of each stage during performing the prediction task. Note that it is the phase diagram at absolute zero (i.e., 0 kelvin) and around zero pressure (i.e., 0 kilobar).

Performance
It takes a few seconds to minutes depending on the creation settings and your device. The app has a multithreading option to accelerate the core of the AI tool - for example, computationally intensive tasks are sped up around 2.5x on M1 iPad Air.

Chemical System
A chemical system is selected by choosing three unique chemical elements from:
• Element List (with group and period restriction)
or
• Periodic Table

Materials Screening
The materials screening is conducted by thresholding two values:
• Predicative Variance
• Stability (Energy above Convex Hull)

Phase Diagram Drawing
The drawing is customizable and responsive with useful features:
• Formula Labeling
• Stability Thresholding
• Zoom
• Mark Size
• Font Size
• Balloon with each compound information

Confidence Chart
The chart shows the distribution of predicative confidences, and provides an overall confidence of the system prediction and the phase diagram.

Compound Table
The table shows stable and metastable compounds with stabilities and predicative confidences, from which you can easily choose candidate compounds.

Settings
You can set the default preferences of the chemical system creation and the phase diagram drawing in the App's Settings. The entrance of the In-App Shop is also located in the App's Settings.

We offer Free, Standard, and Premium plan. You can subscribe to one of Standard and Premium plan at the In-App Shop. The Shop's Help describes the system tiers used for the content management.

Free features:
• Free Elements: H to Ar. (*)
• Ensemble Size: M = 1.
• Prototype Database: Small only.
• You can take a note about each chemical system to not forget any novel findings and great ideas.

Standard features:
• Standard Elements: K to Xe. (*)
• Ensemble Size: M is not more than 5.
• Prototype Database: Small, Medium, and Large.
• You can sort chemical systems into Stocks that are a storage for them.
• Chemical systems can be shared between your devices by peer-to-peer Wi-Fi networking.

Premium features:
• Premium Elements: Cs to Pu except Po to Ra. (*)
• Ensemble Size: M is not more than 10.
• Prototype Database: all scales, that is, Small, Medium, Large, and Huge.
• Multithreading can be used to accelerate the core of the AI tool - for example, computationally intensive tasks are sped up around 2.5x on M1 iPad Air.

* Noble gas elements are not available.

Flame Gems
You need flame gems for a non-free system creation, and can buy them at the In-App Shop. The Shop's Help describes how to consume flame gems and has the cost calculator. You have to buy no flame gems if you are on the Free plan.

Terms of Use: http://www.apple.com/legal/itunes/appstore/dev/stdeula