Moritz Gubler

4PUBLICATIONS
6CO-AUTHORS
Theoretical quantum chemistryOptimisation
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Publications (4)

|Sep 08, 2026
A synthetic pseudopotential benchmark for testing production pseudopotentials and constructing pseudopotentials with chemical accuracy.

|Mar 03, 2025
Accuracy of charge densities in electronic structure calculations.

Moritz Gubler, Moritz R Schäfer, Jörg Behler

|Jan 27, 2025
Noise-Tolerant Force Calculations in Density Functional Theory: A Surface Integral Approach for Wavelet-Based Methods.

Moritz Gubler, Jonas A Finkler, Stig Rune Jensen

|Aug 16, 2024
Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration.

Moritz Gubler, Jonas A Finkler, Moritz R Schäfer

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Frequent Collaborators

2 joint publications

Jörg Behler

2 joint publications

Luca Frediani

2 joint publications

Stefan Goedecker

1 joint publications

Stig Rune Jensen