Michael F. Herbst's user avatar
Michael F. Herbst's user avatar
Michael F. Herbst's user avatar
Michael F. Herbst
  • Member for 3 years, 9 months
  • Last seen more than a month ago
36 votes
Accepted

How is Julia used in matter modeling?

23 votes

What are the freely available crystal-structure visualization softwares?

18 votes

State of the art in computational materials design

16 votes

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

14 votes

Do eigenvalues in DFT mean anything?

12 votes

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

12 votes

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

11 votes
Accepted

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

10 votes
Accepted

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

9 votes

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

7 votes
Accepted

Convergence by energy and/or density?