Three (3) Doctoral Researchers (PhD students) in Machine-Learning-Driven Atomistic Simulations The Data-driven Atomistic Simulation (DAS) group, led by Prof. Miguel Caro at the Department of Chemistry ...

Ionic liquids (ILs) are a class of molten salts with a collection of exciting properties, which have been employed for wide-ranging applications across chemistry, biology, and materials science.

When you listen to quantum enthusiasts, you may feel tempted to treat QML as an emerging silver bullet, which it isn’t.

Our world is evolving rapidly, and with it comes a wide range of challenges, including the need for sustainable and energy-efficient solutions, advanced electronic devices, and durable, lightweight ...

Perform simulations from the first day of use. Provided as an Saas, users can access Matlantis via a browser and start searching for new materials. Because Matlantis’ MLIP has already been trained ...

A research group has developed SPACIER, an advanced polymer material design tool that integrates machine learning with molecular simulations. As a proof of concept, the group successfully ...

This machine learning model takes MOF simulations to the next level The MOFTransformer model takes inspiration from the same technology that powers ChatGPT by Ariana Remmel March 30, 2023 3 min read ...

Putting hydrogen on solid ground: Simulations with a machine learning model predict a new phase of solid hydrogen Date: April 22, 2023 Source: University of Illinois Grainger College of ...