Looking for another structure ... in computational materials chemistry rather than in drug discovery. Based on her experience, Glezakou stresses that only a small amount of chemical data is ...

In a new paper published in The Journal of Chemical Theory and Computation, researchers from IBM Quantum and Lockheed Martin ...

A research team has developed a unified theoretical framework to better predict the performance of single-atom catalysts (SACs) for electrochemical carbon dioxide reduction (CO₂RR). Their model ...

Charging electric-vehicle batteries in Ithaca's frigid winter can be tough, and freezing temperatures also decrease the ...

Proteins are among the most studied molecules in biology, yet new research shows they can still hold surprising secrets. Researchers have discovered previously undetected chemical bonds within ...

Artificial intelligence and robotics are revolutionizing drug discovery by automating laboratory processes and enabling rapid ...

Charging electric-vehicle batteries in Ithaca's frigid winter can be tough, and freezing temperatures also decrease the driving range. Hot weather can ...

The new findings are published in Communications Chemistry ... protein structures from the Protein Data Bank, a global public repository of protein structures, using a new algorithm that they ...

This year's award winners are changing lives in and out of the classroom. Meet the nine scholars honored for teaching and ...

Council approves conclusions ‘Towards the EU strategy on AI in science’ calling for a comprehensive strategy to boost the ...

The course introduces basic data ... computational problems on the most important data types, such as sequences, sets, trees, and graphs. An intensive laboratory activity will complement the lectures.