TensorMesh is a finite element method (FEM) library built natively on PyTorch. It is designed to solve partial differential equations (PDEs) with the ergonomics of modern deep learning frameworks — ...
We show here that machine learning is a powerful new tool for predicting the elastic response of zeolites. We built our machine learning approach relying on geometric features only, which are related ...
In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, ...
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