Oscar A Douglas-Gallardo

5PUBLICATIONS
8CO-AUTHORS
Radiation and matterTheoretical quantum chemistryMain group metal chemistryCatalysis and mechanisms of reactions
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Publications (5)

|Dec 27, 2023
Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities.

Wojciech G Stark, Julia Westermayr, Oscar A Douglas-Gallardo

|May 07, 2022
NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase.

James Gardner, Oscar A Douglas-Gallardo, Wojciech G Stark

|Jun 21, 2021
Plasmonic enhancement of molecular hydrogen dissociation on metallic magnesium nanoclusters.

Oscar A Douglas-Gallardo, Connor L Box, Reinhard J Maurer

|Jul 09, 2020
Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach.

Oscar A Douglas-Gallardo, Ian Shepherd, Simon J Bennie

|Feb 17, 2019
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions.

Oscar A Douglas-Gallardo, David Adrian Saez, Stefan Vogt-Geisse

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Frequent Collaborators

3 joint publications

Reinhard J Maurer

2 joint publications

Esteban Vöhringer-Martinez

2 joint publications

James Gardner

2 joint publications

Wojciech G Stark