Personal information

Emails & domains

Verified email addresses

Verified email domains

Websites & social links

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

Activities

Collapse all

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
Source: check_circle
Crossref

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
Preferred source (of 3)‎

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
Preferred source (of 3)‎

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
Preferred source (of 5)‎

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
Preferred source (of 5)‎

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
Source: check_circle
Crossref
grade
Preferred source (of 4)‎

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.
Source: check_circle
Crossref
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

Peer review (38 reviews for 15 publications/grants)

Review activity for Catalysis science & technology. (1)
Review activity for Digital discovery. (14)
Review activity for Industrial & engineering chemistry research. (1)
Review activity for Industrial & engineering chemistry research. (1)
Review activity for International journal of quantum chemistry. (2)
Review activity for Journal of chemical theory and computation : (5)
Review activity for Journal of physical chemistry. (1)
Review activity for Nature communications (1)
Review activity for Physical chemistry chemical physics. (3)
Review activity for Proceedings of the Combustion Institute. (1)
Review activity for Research on chemical intermediates. (1)
Review activity for Research on chemical intermediates. (1)
Review activity for Science China. (1)
Review activity for The journal of physical chemistry. (2)
Review activity for The journal of physical chemistry. (3)
How many people are using ORCID?