User Michael F. Herbst - Matter Modeling Stack Exchange

Michael F. Herbst

Member for 3 years, 7 months
Last seen more than a month ago

11 Answers

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23 votes

What are the freely available crystal-structure visualization softwares?

answered May 8, 2020 at 8:00

18 votes

State of the art in computational materials design

answered May 20, 2020 at 7:53

36 votes

Accepted

How is Julia used in matter modeling?

answered May 11, 2020 at 10:37

7 votes

Accepted

Convergence by energy and/or density?

answered May 18, 2020 at 7:16

10 votes

Accepted

How is the material $\ce{\alpha-NaMnO2}$ pronounced?

answered May 20, 2020 at 10:25

11 votes

Accepted

How does a complete basis set remove Pulay forces/stress?

answered May 19, 2020 at 11:59

14 votes

Do eigenvalues in DFT mean anything?

answered May 17, 2020 at 8:13

9 votes

Why is Q-Chem producing a parallel efficiency greater than 1?

answered May 16, 2020 at 6:07

12 votes

What is the status of graphics processing units in plane-wave DFT?

answered May 15, 2020 at 6:52

16 votes

How to identify a semi-metal from the band structure?

answered May 7, 2020 at 6:41

12 votes

What are the core numerical routines used in density functional theory?

answered May 10, 2020 at 9:03