Speaker: Prof. Christian Ochsenfeld

Quantum-Chemical Methods for Large Systems: Low-, Linear-, and Sublinear-Scaling Methods

An overview of our recently developed low-, linear-, and sublinear-scaling methods ranging from HF, DFT, MP2 to RPA is given. These methods allow — also in combination with graphics processing units (GPUs) — for the efficient description of large systems at QM and QM/MM levels, where QM spheres with typically 500-1000 atoms are necessary for reliable studies. [more]
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