Matter Modeling
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C_Swann22
  • Member for 1 year, 5 months
  • Last seen more than a month ago
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All Questions Answers
Score Newest
question
7
Calculating Te chemical shifts with Gaussian
Dec 21, 2022
question
6
Choosing the right basis set for describing vdW-interactions with DFT-D3
Mar 29
question
6
NBO analysis of potentially hypervalent compounds
Mar 7
question
5
How to use GIMIC for "line integral convolution on a surface" in ParaView?
Oct 24, 2022
question
5
Obtaining data for plotting Fermi and Coulomb holes of a hydrogen molecule
Jan 24
question
3
Smooth overlap of atomic positions (SOAP) output for Gaussian Process regression in sklearn
May 30
question
3
Using GPyTorch for GPR together with the SOAP-Kernel
Oct 28
question
3
External magnetic field in magnetic shielding calculations
Mar 10
answer
2
NBO analysis of potentially hypervalent compounds
Mar 13
question
2
Generate grid coordinates from PySCF DFT package for plotting grid points
Jun 29, 2022

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