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, 11 months
  • Last seen more than a month ago
23 votes

What are the freely available crystal-structure visualization softwares?

18 votes

State of the art in computational materials design

36 votes
Accepted

How is Julia used in matter modeling?

7 votes
Accepted

Convergence by energy and/or density?

10 votes
Accepted

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

12 votes
Accepted

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

14 votes

Do eigenvalues in DFT mean anything?

9 votes

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

12 votes

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

16 votes

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

12 votes

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