Matter Modeling Beta
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ksousa

A Chemistry grad student from Brazil, struggling to get back on my feet after nearly 10 years away from academia.

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68 Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome? Jun 20 '20
48 DeepMind just announced a breakthrough in protein folding, what are the consequences? Dec 2 '20
26 Approximate equivalence table between Pople's basis sets and Jensen's DFT optimized polarization consistent basis sets (pcseg-n) May 3 '20
23 Which Linux distribution is best for Matter Modeling? Jun 8 '20
18 Since MKL is not optimized for AMD hardware, should I use a math library specific to AMD, or would an open-source one be just as good? May 27 '20
17 Alternatives to VEDA 4 vibrational energy distribution analysis software? May 5 '20
17 How can I create a .CIF file from x-ray diffraction data in a paper, for compound not found in crystallographic database May 5 '20
16 Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages? Jun 19 '20
16 What are the types of charge analysis? Jul 1 '20
12 Analog computing in matter modeling today: Any applications? Jul 17 '20
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