User Nike Dattani

81 votes

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

answered Jun 20, 2020 at 4:27

57 votes

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

answered Dec 2, 2020 at 4:49

38 votes

Is there a free package with robust CASSCF functionality?

answered May 5, 2020 at 22:46

36 votes

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

answered May 5, 2020 at 22:04

36 votes

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Was Walter Kohn wrong about this?

answered Jun 26, 2020 at 17:23

30 votes

How does the recent Chinese quantum supremacy claim compare with Google's?

answered Dec 10, 2020 at 23:23

29 votes

What are some recent developments in density functional theory?

answered May 30, 2020 at 6:17

28 votes

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How accurate are the most accurate calculations?

answered May 13, 2020 at 3:05

27 votes

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What is a Padé approximant?

answered Aug 12, 2021 at 18:31

27 votes

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How to master Fortran with minimal effort?

answered Jun 27, 2021 at 5:16

26 votes

Can a highly-cited published paper have this type of error?

answered Oct 13, 2021 at 16:58

26 votes

What is the largest material that has been studied using density functional theory?

answered May 2, 2020 at 0:01

24 votes

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Is there any good review paper on the density matrix renormalization group (DMRG) method?

answered May 6, 2020 at 2:16

24 votes

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Supercomputers around the world

answered Jul 15, 2020 at 2:50

24 votes

What is a good replacement for Gaussian?

answered Mar 19, 2021 at 0:35

23 votes

What are the types of charge analysis?

answered Jul 1, 2020 at 16:40

22 votes

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What are the common acronyms in Materials Modelling?

answered May 2, 2020 at 16:02

21 votes

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What's the point of doing high accuracy spectroscopy calculations?

answered May 6, 2022 at 18:51

21 votes

What does B3LYP do well? What does it do badly?

answered May 2, 2021 at 2:01

20 votes

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What is matter modeling?

answered Mar 20, 2021 at 0:26

20 votes

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In molecular mechanics, how are van der Waals forces modelled?

answered May 13, 2020 at 9:22

20 votes

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Total spin and/or multiplicity for transition metal ions?

answered Jun 9, 2020 at 22:20

19 votes

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Can DFT be 'exact' in the limit of the uniform electron gas?

answered Jun 16, 2020 at 20:27

19 votes

Are there critical mistakes to avoid when creating a workstation (32-128 cores)?

answered May 20, 2021 at 0:11

19 votes

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When do we abandon ab initio methods?

answered Feb 6, 2021 at 5:54

18 votes

GUIs for Quantum Chemistry... Where are they?

answered Nov 16, 2021 at 20:18

18 votes

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Which image format is best to use in a scientific paper?

answered Sep 10, 2021 at 13:22

18 votes

What software will allow me to combine two images?

answered Mar 15, 2021 at 19:35

18 votes

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Should I connect 2-3 laptops to form a supercomputer?

answered Jun 15, 2021 at 20:41

18 votes

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Which Linux distribution is best for Matter Modeling?

answered Jun 10, 2020 at 2:15

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280 Answers

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

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

Is there a free package with robust CASSCF functionality?

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

Was Walter Kohn wrong about this?

How does the recent Chinese quantum supremacy claim compare with Google's?

What are some recent developments in density functional theory?

How accurate are the most accurate calculations?

What is a Padé approximant?

How to master Fortran with minimal effort?

Can a highly-cited published paper have this type of error?

What is the largest material that has been studied using density functional theory?

Is there any good review paper on the density matrix renormalization group (DMRG) method?

Supercomputers around the world

What is a good replacement for Gaussian?

What are the types of charge analysis?

What are the common acronyms in Materials Modelling?

What's the point of doing high accuracy spectroscopy calculations?

What does B3LYP do well? What does it do badly?

What is matter modeling?

In molecular mechanics, how are van der Waals forces modelled?

Total spin and/or multiplicity for transition metal ions?

Can DFT be 'exact' in the limit of the uniform electron gas?

Are there critical mistakes to avoid when creating a workstation (32-128 cores)?

When do we abandon ab initio methods?

GUIs for Quantum Chemistry... Where are they?

Which image format is best to use in a scientific paper?

What software will allow me to combine two images?

Should I connect 2-3 laptops to form a supercomputer?

Which Linux distribution is best for Matter Modeling?