Top network posts

• 19 Is there a set of updated, comprehensive benchmarks for speed comparison between different quantum chemistry packages?
• 17 What are the pitfalls for new users of DFT?
• 17 Materials Modeling with Raspberry Pi?
• 17 How does the Hartree-Fock method improve on Hartree after considering the wavefunction that takes the anti-symmetry property into account?
• 15 Orbitals in full CI and DFT with true functional
• 15 References for Molecular Dynamics?
• 15 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?
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