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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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65 Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome? Jun 20
25 Approximate equivalence table between Pople's basis sets and Jensen's DFT optimized polarization consistent basis sets (pcseg-n) May 3
22 Which Linux distribution is best for Matter Modeling? Jun 8
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
16 Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages? Jun 19
15 What are the types of charge analysis? Jul 1
14 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
14 Alternatives to VEDA 4 vibrational energy distribution analysis software? May 5
12 Analog computing in matter modeling today: Any applications? Jul 17
10 What are the trade-offs setting DIRSCF to either .TRUE. or .FALSE. (the default) in GAMESS (US)? Nov 2
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