Ab initio techniques have revolutionized the way theory helps practitioners to explore mechanisms governing reactions or properties, and develop new strategies for materials discovery and design.
Developing truly universal machine learning potentials for heterogeneous catalysis remains challenging. Here we introduce our element-based machine learning potential (EMLP), trained on a unique ...
If you used every particle in the observable universe to do a full quantum simulation, how big would that simulation be? At best a large molecule. That’s how insanely information dense the quantum ...
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