Jonas Greiner

9PUBLICATIONS
96CO-AUTHORS
Formal methods for softwareChemical thermodynamics and energeticsTheoretical quantum chemistryArtificial life and complex adaptive systemsStatistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (9)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Mar 04, 2026
Solvation Lies Within: Simulating Condensed-Phase Properties from Local Electronic Structures.

Kasper F Schaltz, Jonas Greiner, Filippo Lipparini

|Jan 13, 2026
A Reusable Library for Second-Order Orbital Optimization Using the Trust Region Method.

Jonas Greiner, Ida-Marie Høyvik, Susi Lehtola

|Sep 20, 2024
Exploiting Non-Abelian Point-Group Symmetry to Estimate the Exact Ground-State Correlation Energy of Benzene in a Polarized Split-Valence Triple-Zeta Basis Set.

Jonas Greiner, Jürgen Gauss, Janus J Eriksen

|Aug 05, 2024
Error Control and Automatic Detection of Reference Active Spaces in Many-Body Expanded Full Configuration Interaction.

Jonas Greiner, Jürgen Gauss, Janus J Eriksen

|May 29, 2024
MBE-CASSCF Approach for the Accurate Treatment of Large Active Spaces.

Jonas Greiner, Ivan Gianni, Tommaso Nottoli

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Frequent Collaborators

7 joint publications

Janus Juul Eriksen

3 joint publications

Jürgen Gauss

2 joint publications

Dage Sundholm

2 joint publications

Filippo Lipparini