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 ...

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

The integration of computational chemistry with synthetic organic methodologies has ushered in a new era of chemical research, where theoretical predictions and experimental validations work ...

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 ...