ACS Publications

Skala 1.1, the updated deep-learning exchange-correlation functional from Microsoft Research, provides greater accuracy, expanded accessibility across the computational chemistry ecosystem, and a livi...

ChatGPT prompts show how an expert witness report was created in a $61 million lawsuit over an explosion that killed three people.

Research Gold's team of human methodologists are either AI generated or using the identity of real people without their permission

The G3W2 approximation─the second-order self-energy beyond GW─is known to violate some fundamental analytic properties of the self-energy. In particular, its lack of positive semidefiniteness leads to...

Research assistant (praedoc) (f/m/d) DM-786

By Dr. Rachel Simmons, Postdoctoral Fellow, Stanford University

AI writing is impossible to avoid, is making everything sound the same, and is driving us crazy.

ASU Atomic, a new tool in beta at Arizona State University, takes faculty lectures and chops them into extremely short clips, that AI then attempts to turn into learning materials.

Deep-lying core electrons carry highly localized, site-specific information that forms the basis of X-ray photoelectron spectroscopy. Accurately predicting their associated core ionization potentials ...

The complex absorbing potential (CAP) formalism has been successfully employed in various wave function-based methods to study electronic resonance states. In contrast, Green’s function-based methods ...