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Peter Kraus

5PUBLICATIONS

67CO-AUTHORS

Programming languagesExperimental methods in fluid flow, heat and mass transferTheoretical quantum chemistryStructure and dynamics of materialsTropospheric and stratospheric physics

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Publications (5)

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|Dec 02, 2021

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

Daniel G A Smith, Annabelle T Lolinco, Zachary L Glick

|Nov 03, 2020

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

Paolo Raiteri, Peter Kraus, Julian D Gale

|May 17, 2020

Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

|Apr 15, 2019

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

S Herbers, P Kraus, J-U Grabow

|Oct 12, 2018

Blurring out hydrogen: The dynamical structure of teflic acid.

S Herbers, D A Obenchain, P Kraus

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Frequent Collaborators

2 joint publications

Jeffrey B Schriber

2 joint publications

Daniel G A Smith

2 joint publications

Lori A Burns

2 joint publications

Andrew C Simmonett

2 joint publications

Zachary L Glick

2 joint publications

Maximilian Scheurer

2 joint publications

Holger Kruse

2 joint publications

Roberto Di Remigio

2 joint publications

Asem Alenaizan

2 joint publications

Jonathon P Misiewicz

Frequent Collaborators

2 joint publications

Jeffrey B Schriber

2 joint publications

Daniel G A Smith

2 joint publications

Lori A Burns

2 joint publications

Andrew C Simmonett

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