Anna-Sophia Hehn

8PUBLICATIONS
24CO-AUTHORS
Computational chemistryTheoretical quantum chemistryCondensed matter modelling and density functional theoryMetal organic frameworksMathematical aspects of general relativity
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Publications (8)

|Jan 15, 2026
The CP2K Program Package Made Simple.

Marcella Iannuzzi, Jan Wilhelm, Frederick Stein

|Oct 18, 2025
A Density Functional Theory and Semiempirical Framework for Trajectory Surface Hopping on Extended Systems.

Jan-Robert Vogt, Michael Schulz, Rafael Souza Mattos

|Feb 25, 2025
Perturbative spin-orbit couplings for the simulation of extended framework materials.

Jan-Robert Vogt, Jan Wilhelm, Anna-Sophia Hehn

|Nov 21, 2024
Experimental and Theoretical Insights on Gas Trapping of Noble Gases in MFU-4-Type Metal-Organic Frameworks.

Hana Bunzen, Beliz Sertcan Gökmen, Andreas Kalytta-Mewes

|Sep 18, 2024
Excited-State Forces with the Gaussian and Augmented Plane Wave Method for the Tamm-Dancoff Approximation of Time-Dependent Density Functional Theory.

Beliz Sertcan Gökmen, Jürg Hutter, Anna-Sophia Hehn

|May 21, 2024
Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods".

Anna-Sophia Hehn, Beliz Sertcan, Fabian Belleflamme

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Frequent Collaborators

2 joint publications

Matthew B Watkins

2 joint publications

Marcella Iannuzzi

2 joint publications

Jürg Hutter

2 joint publications

Jan Wilhelm