Models, by definition, are approximations: useful, informative, and inevitably incomplete, because they are the only way to ...
Whether a smartphone battery lasts longer or a new drug can be developed to treat incurable diseases depends on how stably ...
When you buy through links on our articles, Future and its syndication partners may earn a commission. Credit: ESA Science Office Scientists are turning to chemical modeling to determine whether icy ...
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Computational chemistry unlocked: A record-breaking dataset to train AI models has launched
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 2024 Nobel Prize in Chemistry is for computational protein design and structure prediction. David Baker, Demis Hassabis and John M. Jumper took home the prize for their work using artificial ...
LMU researcher Professor Alexander Urban and his team have developed a tool that could revolutionize the design of new materials. Synthesizer is a platform that combines automated chemical synthesis, ...
Rapid advances in applying artificial intelligence to simulations in physics and chemistry have some people questioning whether we will even need quantum computers at all. Tech companies have been ...
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