Abstract:High-level quantum mechanical (QM) calculations are indispensable for accurate explanation of natural phenomena on the atomistic level. Their staggering computational cost, however, poses great limitations, which luckily can be lifted to a great extent by exploiting advances in artificial intelligence (AI). Here we introduce the general-purpose, highly transferable artificial intelligence-quantum mechanical method 1 (AIQM1). It approaches the accuracy of the 'gold-standard' coupled cluster QM method with low c… Show more
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