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 ...
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 ...
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 ...
Computational chemistry encompasses the simulation and theoretical modelling of chemical systems, providing insights into reaction dynamics, electronic structure, and molecular interactions. Density ...
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 process of discovering and designing new chemicals has always been arduous—Sijia Dong wants to change that. As an ...
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 ...
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 ...
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