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ConCat: Conductivity and Catalysis Lab
@pkraus@berlin.social

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Employment (5)

Technische Universität Berlin: Berlin, Berlin, DE

2022-10-10 to present | Junior Research Group Leader (Institute for Material Sciences and Technology)
Employment
Source: Self-asserted source
Peter Kraus

Empa: Dübendorf, ZH, CH

2021-09-01 to 2022-08-31 | Scientist (Materials for Energy Conversion)
Employment
Source: Self-asserted source
Peter Kraus

Curtin University: Perth, WA, AU

2020-02-01 to 2021-08-06 | Forrest Fellow (Research Associate) (School of Molecular and Life Sciences)
Employment
Source: Self-asserted source
Peter Kraus

Fritz-Haber-Institut der Max-Planck-Gesellschaft: Berlin, Berlin, DE

2018-10-01 to 2019-12-31 | post-doc (Anorganische Chemie)
Employment
Source: Self-asserted source
Peter Kraus

Leibniz Universität Hannover: Hanover, Lower Saxony, DE

2016-10-01 to 2018-09-30 | post-doc (Institut für Physikalische Chemie und Elektrochemie)
Employment
Source: Self-asserted source
Peter Kraus

Education and qualifications (2)

Imperial College London: London, England, GB

2012-10-01 to 2016-09-28 | PhD (Mechanical Engineering)
Education
Source: Self-asserted source
Peter Kraus

University of Glasgow: Glasgow, Scotland, GB

2007-09-01 to 2012-05-01 | MSci (Chemistry)
Education
Source: Self-asserted source
Peter Kraus

Professional activities (1)

Curtin University: Perth, WA, AU

2021-08-07 to present | Visiting Research Associate (School of Molecular and Life Sciences)
Invited position
Source: Self-asserted source
Peter Kraus

Funding (3)

Low NOx thermochemical conversion of ammonia

2023-10 to 2026-10 | Grant
Deutsche Forschungsgemeinschaft (Bonn, DE)
URL: https://gepris.dfg.de/gepris/projekt/523873650
Part of GRANT_NUMBER: 523873650
Source: Self-asserted source
Peter Kraus

Dielectric properties and electrical conductivity as predictors of catalytic selectivity

2022-10 to 2025-09 | Grant
Deutsche Forschungsgemeinschaft (Bonn, DE)
GRANT_NUMBER: 490703766
Source: Self-asserted source
Peter Kraus

Electrical conductivity of novel materials

2020-02 to 2023-02 | Salary award
Forrest Research Foundation (Perth, Western Australia, AU)
GRANT_NUMBER: 2020 Forrest Fellowship
Source: Self-asserted source
Peter Kraus

Works (35)

Utilization of Novel (KNbO3)1−x(Ba2FeNbO6)x (x = 0.1, 0.2, 0.3) Solid Solutions for Efficient Photo‐Assisted Fenton Degradation of Methylene Blue Dye

Advanced Energy and Sustainability Research
2025-01 | Journal article
DOI: 10.1002/aesr.202400246
Contributors: Celal Avcıoğlu; Peter Kraus; Suna Avcıoğlu; Julian T. Müller; Aleksander Gurlo; Maged F. Bekheet
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A bridge between trust and control: computational workflows meet automated battery cycling

Journal of Materials Chemistry A
2024 | Journal article
DOI: 10.1039/D3TA06889G
Contributors: Peter Kraus; Edan Bainglass; Francisco F. Ramirez; Enea Svaluto-Ferro; Loris Ercole; Benjamin Kunz; Sebastiaan P. Huber; Nukorn Plainpan; Nicola Marzari; Corsin Battaglia et al.
Source: check_circle
Crossref
grade
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Comprehensive Analytical Method with a Standardized Data Pipeline Enables Parallel Experiments in Electrochemical CO2 Reduction

ECS Meeting Abstracts
2024-11-22 | Journal article
DOI: 10.1149/MA2024-02624206mtgabs
Contributors: Alessandro Senocrate; Peter Kraus; Francesco Bernasconi; Corsin Battaglia
Source: check_circle
Crossref

Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences

2024-10-24 | Preprint
DOI: 10.48550/ARXIV.2410.18839
Contributors: Matthew L. Evans; Gian-Marco Rignanese; David Elbert; Peter Kraus
Source: Self-asserted source
Peter Kraus

A Comprehensive Online Analytical System Coupled with Standardized Data Analysis for the Electrochemical Reduction of CO2

ECS Meeting Abstracts
2024-08-09 | Journal article
DOI: 10.1149/MA2024-01442410mtgabs
Contributors: Alessandro Senocrate; Peter Kraus; Francesco Bernasconi; Corsin Battaglia
Source: check_circle
Crossref

Parallel experiments in electrochemical CO2 reduction enabled by standardized analytics

Nature Catalysis
2024-06-26 | Journal article
DOI: 10.1038/s41929-024-01172-x
Contributors: Alessandro Senocrate; Francesco Bernasconi; Peter Kraus; Nukorn Plainpan; Jens Trafkowski; Fabian Tolle; Thomas Weber; Ulrich Sauter; Corsin Battaglia
Source: check_circle
Crossref

Computational workflows for perovskites: case study for lanthanide manganites

Physical Chemistry Chemical Physics
2023 | Journal article
DOI: 10.1039/D3CP00041A
Contributors: Peter Kraus; Paolo Raiteri; Julian D. Gale
Source: check_circle
Crossref
grade
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Enhancing C<sub>≥2</sub> product selectivity in electrochemical CO<sub>2</sub> reduction by controlling the microstructure of gas diffusion electrodes

EES Catalysis
2023 | Journal article
DOI: 10.1039/d3ey00140g
Part of ISSN: 2753-801X
Contributors: Francesco Bernasconi; Alessandro Senocrate; Peter Kraus; Corsin Battaglia
Source: Self-asserted source
Peter Kraus
grade
Preferred source (of 2)‎

Advanced Analytical System with Standardized Data Analysis for Electrochemical CO2 Reduction

ECS Meeting Abstracts
2023-12-22 | Journal article
DOI: 10.1149/MA2023-02169mtgabs
Contributors: Alessandro Senocrate; Peter Kraus; Francesco Bernasconi; Corsin Battaglia
Source: check_circle
Crossref

Towards automation of operando experiments: a case study in contactless conductivity measurements

Digital Discovery
2022 | Journal article
DOI: 10.1039/D1DD00029B
Contributors: Peter Kraus; Elisabeth H. Wolf; Charlotte Prinz; Giulia Bellini; Annette Trunschke; Robert Schlögl
Source: check_circle
Crossref
grade
Preferred source (of 5)‎

yadg: yet another datagram

Journal of Open Source Software
2022-04-21 | Journal article
DOI: 10.21105/joss.04166
Contributors: Peter Kraus; Nicolas Vetsch; Corsin Battaglia
Source: check_circle
Crossref

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

The Journal of Chemical Physics
2021-11-28 | Journal article
DOI: 10.1063/5.0059356
Part of ISSN: 0021-9606
Part of ISSN: 1089-7690
Source: Self-asserted source
Peter Kraus

Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence

MRS Bulletin
2021-10-01 | Journal article
DOI: 10.1557/s43577-021-00165-6
DOI: 10.26434/chemrxiv.14043740
DOI: 10.26434/chemrxiv.14043740.v1
Part of ISSN: 0883-7694
Part of ISSN: 1938-1425
ARXIV: arXiv:2102.08269v1
Source: Self-asserted source
Peter Kraus
grade
Preferred source (of 4)‎

Extrapolating DFT Toward the Complete Basis Set Limit: Lessons from the PBE Family of Functionals

Journal of Chemical Theory and Computation
2021-09-14 | Journal article
DOI: 10.1021/acs.jctc.1c00542
Contributors: Peter Kraus
Source: check_circle
Crossref
grade
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Determination of the “Privileged Structure” of 8‐Hydroxyquinoline

ChemPhysChem
2021-07-07 | Journal article
DOI: 10.1002/cphc.202100384
Part of ISSN: 1439-4235
Part of ISSN: 1439-7641
Source: Self-asserted source
Peter Kraus

It’s a Gas: Oxidative Dehydrogenation of Propane over Boron Nitride Catalysts

The Journal of Physical Chemistry C
2021-03-18 | Journal article
DOI: 10.1021/acs.jpcc.1c00165
Contributors: Peter Kraus; Rune Peter Lindstedt
Source: check_circle
Crossref
grade
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Xe⋯OCS: relatively straightforward?

Physical Chemistry Chemical Physics
2020 | Journal article
DOI: 10.1039/D0CP00334D
Contributors: Peter Kraus; Daniel A. Obenchain; Sven Herbers; Dennis Wachsmuth; Irmgard Frank; Jens-Uwe Grabow
Source: check_circle
Crossref
grade
Preferred source (of 3)‎

Molecular dynamics simulations of liquid–liquid interfaces in an electric field: The water–1,2-dichloroethane interface

The Journal of Chemical Physics
2020-10-28 | Journal article
DOI: 10.1063/5.0027876
Contributors: Paolo Raiteri; Peter Kraus; Julian D. Gale
Source: check_circle
Crossref
grade
Preferred source (of 4)‎

Towards Experimental Handbooks in Catalysis

Topics in Catalysis
2020-10-06 | Journal article
DOI: 10.1007/s11244-020-01380-2
Part of ISSN: 1022-5528
Part of ISSN: 1572-9028
Source: Self-asserted source
Peter Kraus

Basis Set Extrapolations for Density Functional Theory

Journal of Chemical Theory and Computation
2020-09-08 | Journal article
DOI: 10.1021/acs.jctc.0c00684
Contributors: Peter Kraus
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Crossref
grade
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PSI4 1.4: Open-source software for high-throughput quantum chemistry

The Journal of Chemical Physics
2020-05-14 | Journal article
DOI: 10.1063/5.0006002
Contributors: Daniel G. A. Smith; Lori A. Burns; Andrew C. Simmonett; Robert M. Parrish; Matthew C. Schieber; Raimondas Galvelis; Peter Kraus; Holger Kruse; Roberto Di Remigio; Asem Alenaizan et al.
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grade
Preferred source (of 4)‎

Reliable long-term performance assessment of commercial photovoltaic modules tested under field conditions over 5 years

Journal of Renewable and Sustainable Energy
2019-11 | Journal article
DOI: 10.1063/1.5128171
Contributors: Peter Kraus; Cyriac Massué; Saskia Heumann; Robert Schlögl
Source: check_circle
Crossref

Modelling Vibrational Dissociation of [H2–HCO]+

ChemistrySelect
2019-09-06 | Journal article
DOI: 10.1002/slct.201902216
Contributors: Peter Kraus; H. Tobias Alznauer; Irmgard Frank
Source: check_circle
Crossref

Validating additive correction schemes against gradient‐based extrapolations

International Journal of Quantum Chemistry
2019-08-15 | Journal article
DOI: 10.1002/qua.25953
Contributors: Peter Kraus; Irmgard Frank
Source: check_circle
Crossref

Accurate equilibrium structures of methyl methacrylate and methacrylic acid by microwave spectroscopy and dispersion corrected calculations

The Journal of Chemical Physics
2019-04-14 | Journal article
DOI: 10.1063/1.5091693
Contributors: S. Herbers; P. Kraus; J.-U. Grabow
Source: check_circle
Crossref

Unveiling the Sulfur-Sulfur Bridge: Accurate Structural and Energetic Characterization of a Homochalcogen Intermolecular Bond

Angewandte Chemie
2018-10 | Journal article
DOI: 10.1002/ange.201810637
Part of ISSN: 0044-8249
Contributors: Daniel A. Obenchain; Lorenzo Spada; Silvia Alessandrini; Sergio Rampino; Sven Herbers; Nicola Tasinato; Marco Mendolicchio; Peter Kraus; Jürgen Gauss; Cristina Puzzarini et al.
Source: Self-asserted source
Peter Kraus via Crossref Metadata Search

The tardy dance of molecular orbitals

International Journal of Quantum Chemistry
2018-10-15 | Journal article
DOI: 10.1002/qua.25718
Contributors: Irmgard Frank; Peter Kraus
Source: check_circle
Crossref

Density Functional Theory for Microwave Spectroscopy of Noncovalent Complexes: A Benchmark Study

The Journal of Physical Chemistry A
2018-05-31 | Journal article
DOI: 10.1021/acs.jpca.8b03345
Contributors: P. Kraus; I. Frank
Source: check_circle
Crossref

Blurring out hydrogen: The dynamical structure of teflic acid

The Journal of Chemical Physics
2018-05-21 | Journal article
DOI: 10.1063/1.5027487
Contributors: S. Herbers; D. A. Obenchain; P. Kraus; D. Wachsmuth; J.-U. Grabow
Source: check_circle
Crossref

Constrained Chemical Dynamics of CO Dissociation/Hydrogenation on Rh Surfaces

Chemistry – A European Journal
2018-05-17 | Journal article
DOI: 10.1002/chem.201705867
Contributors: Peter Kraus; Irmgard Frank
Source: check_circle
Crossref

Benchmark-Quality Semi-Experimental Structural Parameters of Van Der Waals Complexes

Journal of Physical Chemistry A
2018-01-04 | Journal article
DOI: 10.1021/acs.jpca.7b10797
Source: Self-asserted source
Peter Kraus
grade
Preferred source (of 2)‎

On the dynamics of H2 adsorption on the Pt(111) surface

International Journal of Quantum Chemistry
2017-09-05 | Journal article
DOI: 10.1002/qua.25407
Contributors: Peter Kraus; Irmgard Frank
Source: check_circle
Crossref

Reaction class-based frameworks for heterogeneous catalytic systems

Proceedings of the Combustion Institute
2017-06 | Journal article
DOI: 10.1016/j.proci.2016.06.005
Contributors: P. Kraus; R.P. Lindstedt
Source: check_circle
Crossref

Microkinetic mechanisms for partial oxidation of methane over platinum and rhodium

Journal of Physical Chemistry C
2017-04-05 | Journal article
DOI: 10.1021/acs.jpcc.7b02397
Source: Self-asserted source
Peter Kraus

Variational transition state theory based surface chemistry for the C2H6/H2/O2/Pt system

Energy & Fuels
2016-11 | Journal article
DOI: 10.1021/acs.energyfuels.6b02189
Contributors: Peter Kraus; Rune Peter Lindstedt
Source: Self-asserted source
Peter Kraus via Crossref Metadata Search
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