ksousa's user avatar
ksousa's user avatar
ksousa's user avatar
ksousa
  • Member for 3 years, 11 months
  • Last seen this week
  • Brazil
18 votes

What are the types of charge analysis?

12 votes

What is a good programming language for matter modeling?

10 votes

Which Linux distribution is best for Matter Modeling?

10 votes
Accepted

Why the Open Babel submenu is faded out in Avogadro 2 and I can't optimize geometry in Mint 20?

10 votes

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

9 votes

How to get potential energy surface from GAMESS?

9 votes

What software is needed in chemoinformatics or materials modeling, that a solo programmer could work on?

6 votes

Which modelling package currently implements an AI derived force field?

6 votes

SCF not converging during RHF/STO-3G geometry optimisation

5 votes

Extracting data from a file, using python or bash. Requesting help

4 votes

How to make the input generator plugin work in Avogadro 2 on GNU/Linux?

3 votes
Accepted

Energy decomposition analysis (EDA) at transition state

3 votes

Python to extract data from two files, and then do a calculation with those data

3 votes

Classes of Graphs used in Chemistry

2 votes

How to calculate ionic radius in Gaussian?