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 ...
Researchers from Los Alamos National Laboratory, the Max Planck Institute, and Nvidia developed a teacher–student AI ...
Molecular dynamics simulation has emerged as a crucial bridge between theoretical understanding and experimental observation ...
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 ...
Chemistry moves from in-person lab and the classroom to the computer, as working in a virtual chemistry laboratory and viewing simulations provide additional ways of learning chemistry. Each ...
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 ...
Dublin, Feb. 26, 2025 (GLOBE NEWSWIRE) -- The "Growth Opportunities in Virtual Simulation and Modeling Technologies for Chemicals and Materials R&D, 2024 - 2029" report has been added 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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