Jürg Hutter

8PUBLICATIONS
18CO-AUTHORS
Theoretical quantum chemistryComputational chemistryMetal organic frameworksComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Radiation and matter
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Publications (8)

|Jul 21, 2026
Benchmarking semiempirical quantum chemical methods on liquid water.

|Mar 27, 2026
Fast evaluation of unbiased atomic forces in ab initio variational Monte Carlo via the Lagrangian technique.

Kousuke Nakano, Stefano Battaglia, Jürg Hutter

|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

|Feb 14, 2024
Efficient periodic resolution-of-the-identity Hartree-Fock exchange method with k-point sampling and Gaussian basis sets.

Augustin Bussy, Jürg Hutter

|Jan 12, 2024
Massively parallel implementation of gradients within the random phase approximation: Application to the polymorphs of benzene.

Frederick Stein, Jürg Hutter

|Apr 27, 2023
Sparse tensor based nuclear gradients for periodic Hartree-Fock and low-scaling correlated wave function methods in the CP2K software package: A massively parallel and GPU accelerated implementation.

Augustin Bussy, Ole Schütt, Jürg Hutter

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Frequent Collaborators

2 joint publications

Frederick Stein

2 joint publications

Anna-Sophia Hehn

2 joint publications

Augustin Bussy

1 joint publications

Vladimir V Rybkin