Molecular kinetic modeling in petroleum processing represents a critical advancement in understanding the intricate reaction mechanisms at the molecular level, thereby enhancing process optimisation ...

Researchers at The University of Manchester have created a physics‑informed machine‑learning model that can run molecular ...

Researchers at The University of Manchester have built a machine-learning model that prevents simulated molecules from flying ...

Google DeepMind has unexpectedly released the source code and model weights of AlphaFold 3 for academic use, marking a significant advance that could accelerate scientific discovery and drug ...

A new study from the Italian Institute of Technology (IIT), in collaboration with Uppsala University (Sweden) and AstraZeneca, shows how computational chemistry and supercomputers can help scientists ...

Researchers at the Department of Energy’s SLAC National Accelerator Laboratory have built a generative AI model that ...

Organic light-emitting diodes (OLEDs) have become a cornerstone in display and lighting technologies, driving the demand for efficient organic thermally activated delayed fluorescence (TADF) materials ...

A new open-source model of brain metabolism, developed by scientists at École Polytechnique Fédérale de Lausanne (EPFL), has shown how altering key chemicals could restore aged cells to their youthful ...

Design what’s next. From targeted drug delivery to climate-resilient plants, the power to shape the future relies on the ability to design and evaluate at the molecular level. Our interdisciplinary ...

Researchers from the Complutense University, coordinated by Professor Nazario Martín, and the University of Malaga, led by Casado Cordón, have developed a new molecular model of bilayer graphene with ...