Imagine industrial processes that make materials or chemical compounds faster, cheaper, and with fewer steps than ever before ...
Machine learning-based neural network potentials often cannot describe long-range interactions. Here the authors present an approach for building neural network potentials that can describe the ...
A new trick for modeling molecules with quantum accuracy takes a step toward revealing the equation at the center of a popular simulation approach, which is used in fundamental chemistry and materials ...
Researchers from Los Alamos National Laboratory, the Max Planck Institute, and Nvidia developed a teacher–student AI ...
A new study presented at the ACS Spring 2023 meeting shows how the powerful computational techniques behind artificial intelligence tools such as ChatGPT can help chemists train machines to better ...
PagePeek revolutionizes paper assessment in molecular dynamics through AI-driven validation, ensuring reproducibility, ...
Researchers at Chalmers University in Sweden have used a quantum computer to simulate a chemical reaction. Quantum chemistry is often modelled using supercomputers, which apply the laws of quantum ...
SandboxAQ has announced the acquisition of Good Chemistry, a prominent computational chemistry firm that uses quantum computing, artificial intelligence (AI), and other cutting-edge technologies to ...
It's hard to find a physics or chemistry teacher that doesn't use PhET Interactive Simulations, a free online science and math simulations platform founded at the University of Colorado Boulder in ...
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