John P Pederson

3PUBLICATIONS
2CO-AUTHORS
Reaction kinetics and dynamicsComputational chemistryEnergy generation, conversion and storage (excl. chemical and electrical)
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Publications (3)

|Oct 08, 2025
Computational Electrosynthesis: A Perspective on Mechanistic Questions, Methodological Approaches, and Elucidating the Role of the Electrical Double Layer.

John H Hymel, Chloe A Renfro, Shahriar N Khan

|Jul 15, 2024
PyDFT-QMMM: A modular, extensible software framework for DFT-based QM/MM molecular dynamics.

John P Pederson, Jesse G McDaniel

|May 07, 2022
DFT-based QM/MM with particle-mesh Ewald for direct, long-range electrostatic embedding.

John P Pederson, Jesse G McDaniel

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Frequent Collaborators

3 joint publications

Jesse G McDaniel

1 joint publications

John H Hymel