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)

|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