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computational chemistry

ACM, the Association for Computing Machinery, named an eight-member team drawn from Australian and American institutions as the winner of the 2024 ACM Gordon Bell Prize.

Supercomputer Team Achieves Unprecedented Molecular Simulation Scale, Breaking Two Major Barriers

The Transferring Exascale Computational Chemistry to Cloud Computing Environment and Emerging Hardware Technologies (TEC4) project is accelerating the transition of electronic structure methods to their widespread use in cloud computing environments.

Cloud Computing Breakthrough Accelerates Complex Chemistry Simulations

Chemical bonds

Researchers Boost Chemical Reaction Calculation Speed by 30-40X

Mano Mavrikakis

New atomic-scale understanding of catalysis could be energy breakthrough

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