A new computational approach reveals how subtle structural changes in polyheptazine imides can dramatically influence their ...

One of the biggest promises of quantum computing is the ability to simulate molecules ...

In this video, I explain why some reactions explode while others cool, exploring the root cause of chemical energy. I discuss the chemistry behind endothermic and exothermic reactions, which involves ...

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 ...

Advancements in quantum computing enable accurate modeling of chemical interactions, benefiting pharmaceuticals, clean energy ...

Sustainability is increasingly shaping how chemists design, synthesize, analyze, and manufacture molecules and complex mixtures that underpin ...

So, what exactly is quantum theory in chemistry? It’s basically the set of ideas that explain how atoms and molecules behave ...

Chemistry today is virtually inseparable from computers and the digital landscape they create. The smartphones that scientists carry in their pockets have more computing power than engineers could ...

Suggested Citation: "1 Introduction." National Academies of Sciences, Engineering, and Medicine. 2022. The Importance of Chemical Research to the U.S. Economy. Washington, DC: The National Academies ...