1 code implementation • 6 Apr 2020 • Pascal Pernot, Bing Huang, Andreas Savin
Quantum machine learning models have been gaining significant traction within atomistic simulation communities.
Data Analysis, Statistics and Probability Chemical Physics Computational Physics
1 code implementation • 3 Mar 2020 • Pascal Pernot, Andreas Savin
In the first part of this study (Paper I), we introduced the systematic improvement probability (SIP) as a tool to assess the level of improvement on absolute errors to be expected when switching between two computational chemistry methods.
Chemical Physics Data Analysis, Statistics and Probability
1 code implementation • 2 Mar 2020 • Pascal Pernot, Andreas Savin
The comparison of benchmark error sets is an essential tool for the evaluation of theories in computational chemistry.
Methodology Chemical Physics Data Analysis, Statistics and Probability
1 code implementation • 1 Jan 2007 • Michael Seidl, Paola Gori-Giorgi, Andreas Savin
We reformulate the strong-interaction limit of electronic density functional theory in terms of a classical problem with a degenerate minimum.
Materials Science Strongly Correlated Electrons Chemical Physics
