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 ...

If a workshop devoted to scientific software for computing molecular dynamics sounds highly specialized, it is. But a summer program hosted by UB demonstrates why such events are also a critical part ...

Advances in cloud computing and artificial intelligence are driving breakthroughs for researchers in the fields of life sciences, biotech, and drug discovery. Enabled by artificial intelligence and ...

Researchers are finding ways to speed up the pace of computational chemistry through cloud computing. (Illustration by Nathan Johnson / Pacific Northwest National Laboratory) A team led by researchers ...

Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...

The process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an ...

For computational chemists, there is a broad landscape of software and techniques they can use to model the properties and behaviors of molecules and reactions. Picking which software to use and ...

Researchers from The University of New Mexico and Los Alamos National Laboratory have developed a novel computational ...

As soon as you enter Schrödinger’s headquarters, on the 24th floor of a building in New York City’s Times Square, the company’s association with chemistry and physics is evident. Rooms are named after ...

ByteDance, the Chinese parent company of TikTok, appears to be ramping up work in fields well beyond the bounds of social media: Biology, chemistry, natural sciences and pharmaceuticals. The ...