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 ...

Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures and ...

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

When Matthew J. Guberman-Pfeffer started working toward his undergraduate degree in 2007, he planned to study political science, and he selected chemistry as an elective. Guberman-Pfeffer has low ...

The pH, or the acidity or alkalinity of an environment, has long been known to affect how efficiently catalysts drive key ...

Glasgow-based startup Chemify has raised more than $50 million in an oversubscribed Series B funding round, signaling a ...

During the past century chemists have developed efficient chemical reactions for converting fossil resources into a broad range of fuels and chemicals, and this can be considered one of the most ...

IonQ (IONQ) announced an advancement in quantum chemistry simulations, demonstrating the accurate computation of atomic-level forces with the quantum-classical auxiliary-field quantum Monte Carlo ...

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 ...

Three scientists won the Nobel Prize in Chemistry for creating a new type of molecular structure that has been used to extract carbon dioxide from the air and separate pollutants from water. The ...