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Last Updated: September 29, 2026
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What's new? This release is a major release with usability improvements: - simpler input of xyz coordinates (and other data) ... We will basically continue from A quick video demonstrating the key steps in the manual calculation of the reaction barrier and energy with AIQM2 using # AIQM1 (artificial intelligence–quantum mechanical method 1) is a general-purpose method approaching the gold-standard ... This is a major release with many new features, usability and performance improvements, and bug fixes. In short, we: ... Abstract: Applying hydrostatic pressure to molecules, e.g., diamond anvil cells, leads to a number of remarkable effects, including ... DW discusses the viewing of the intermediate Discussion of Machine-learning accelerated
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