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

University of Idaho scientists are using computer molecular modeling to develop new fungicides with novel modes of action to ...

In the past week, InSysBio announced an extension of its collaboration with BeOne Medicines, applying mechanistic translational modeling to refine starting doses, step-up regimens, and dose-escalation ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Simulated predicted shape distribution for magic-sized silver clusters (purple insets) assembled at different solvent temperatures. These predictions can guide experiments to target seeds for crystal ...

Beauty R&D is shifting toward “materials intelligence,” using AI and atom-level simulation to model ingredient interactions, cut trial-and-error, reduce waste, and speed the development of safer, ...