Peter Kraus

10PUBLICATIONS
14CO-AUTHORS
Elemental semiconductorsSatisfiability and optimisationElectrochemical energy storage and conversionFormal methods for softwareTheoretical quantum chemistry
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Publications (10)

|Jun 10, 2026
Pseudopotential and structural effects on electronic properties in transition metal oxides using Wannier functions.

|May 10, 2024
A bridge between trust and control: computational workflows meet automated battery cycling.

Peter Kraus, Edan Bainglass, Francisco F Ramirez

|Nov 28, 2023
Enhancing C≥2 product selectivity in electrochemical CO2 reduction by controlling the microstructure of gas diffusion electrodes.

Francesco Bernasconi, Alessandro Senocrate, Peter Kraus

|May 17, 2023
Computational workflows for perovskites: case study for lanthanide manganites.

Peter Kraus, Paolo Raiteri, Julian D Gale

|Aug 05, 2021
Extrapolating DFT Toward the Complete Basis Set Limit: Lessons from the PBE Family of Functionals.

Peter Kraus

|Aug 14, 2020
Basis Set Extrapolations for Density Functional Theory.

Peter Kraus

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Frequent Collaborators

2 joint publications

Corsin Battaglia

1 joint publications

Irmgard Frank

1 joint publications

Daniel A Obenchain

1 joint publications

Sven Herbers