The joint local organizing committee by the Chemistry-Information-Computers division (CIC) of the German Chemical Society (GDCh) and the Working Group of Theoretical Chemistry (AGTC) cordially invites ...

The last few decades have witnessed a rapid development in the field of computational chemistry which is now a firmly established and rapidly growing field of chemistry. It has developed into an ...

Yet, the introduction of computational chemistry has completely changed this process by giving researchers the ability to predict and optimize the behavior of materials even before they are created in ...

In addition to an interest in computer modeling and statistical analysis methods, a career in computational chemistry requires patience, logical thinking, and attention to detail. “People skills” are ...

Develop an in-demand skill set combining a technical understanding of chemistry with expertise in computers and computation. Support advancements in any branch of chemistry. Explore rapidly expanding ...

Computing hasn’t changed fundamentally since the advent of the abacus 4,500 years ago. But that could change imminently as the world ushers in the quantum computer, a radically new type of computing ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an assistant professor in the department of chemistry and chemical biology, with ...

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 ...