A computational method accurately predicts the optimal ligand for a photochemical palladium catalyst, enabling new radical reactions of alkyl ketones. Ketones are common components in many organic ...

A new computational method now makes it possible to calculate the forces between large molecules with unprecedented accuracy.

Because ketones are widespread in organic molecules, chemists are eager to develop new reactions that use them to form ...

Chemical processes and multiscale modeling approaches have become vital to the advancement of thermal protection systems (TPS) designed for supersonic and ...

We invite researchers to submit abstracts for oral presentations in the field of medicinal chemistry, focusing on the latest innovations in drug design, discovery, and development. Topics of… Read ...

This important and compelling study establishes a robust computational and experimental framework for the large-scale identification of metallophore biosynthetic clusters. The work advances beyond ...

Quantum computing is set to redefine data security, AI, and cloud infrastructure. This in-depth research explores how post-quantum cryptography, quantum AI acceleration, and hybrid quantum-cloud ...

Discover how metamaterials (engineered structures that defy nature’s limits) are driving breakthroughs in earthquake safety, ...

AI in Computer-Aided Synthesis Planning Market reached USD 2.13 bn in 2024 and is expected to grow rapidly to USD 68.06 bn by ...

Chemical biology is the study of the chemicals and chemical reactions involved in biological processes, incorporating the disciplines of bioorganic chemistry, biochemistry, cell biology and ...

SandboxAQ (Palo Alto, Calif.) today announced the release of AQCat25-EV2, a novel quantitative AI model trained on the AQCat25 dataset, representing an ...