Nike Dattani

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density-functional-theory

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81

Did the 2019 discovery of O(N log(N)) multiplication have a practical outcome?

Jun 20, 2020

57

DeepMind just announced a breakthrough in protein folding, what are the consequences?

Dec 2, 2020

38

Is there a free package with robust CASSCF functionality?

May 5, 2020

36

Is there any DFT code or software that has the option to use this exact exchange-correlation energy functional?

May 5, 2020

36

Was Walter Kohn wrong about this?

Jun 26, 2020

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Is there a database where we can find previously determined geometries of materials?

Apr 28, 2020

49

What is the closest thing we have to "the" universal density functional?

Apr 28, 2020

32

What are the types of DFT?

Jul 14, 2020

29

Where/when did the fields of Operations Research and Spin Physics or Molecular Dynamics begin to cross-pollinate?

May 1, 2020

27

What has caused this apparent stagnancy, in the development of more efficient solar cells?

May 3, 2020

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density-functional-theory

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How can I build the wheels necessary for a quick installation of PySCFad on a "compute node"?

+10

What are the types of DFT?

+10

How can I build the wheels necessary for a quick installation of PySCFad on a "compute node"?

+10

How to master Fortran with minimal effort?

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