Aman Govind Soni

3 Questions 1 Answers 0 Followers

Questions related from Aman Govind Soni

Why do MLIPs(Machine Learned Interatomic Potentials) donot report R2 scores for their model and only MAEs and RMSEs?

Most model papers that I have read do not report R2 or adjusted R2 scores, and aren't MLIPs like regression models fitting to energy/forces.

19 July 2025 6,418 3 View

Use of gen keyword basis set?

I tried running a script using the gen basis set and specifying the aug-cc-pVTZ basis set for the sulphur atom. However, I keep getting errors in the script and cannot identify my mistake. Add...

24 January 2024 6,062 1 View

How do I fix the (?s) in gjf file code ?

I was trying to build a g-C3N4 graphitic carbon nitride molecule using Gaussview; however, the file seemed to miss handle specific values representing certain atoms as "?s" and then specifying...

17 January 2024 8,873 1 View