Oscar A Douglas-Gallardo

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 4

Top Topics

Density Functional Theory

Top Venues

The journal of physical chemistry. C, Nanomaterials and interfaces

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Wojciech G Stark, Julia Westermayr, Oscar A Douglas-Gallardo, James Gardner, Scott Habershon, Reinhard J Maurer
Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (50) (2023)
Wojciech G Stark, Julia Westermayr, Oscar A Douglas-Gallardo, James Gardner, Scott Habershon, Reinhard J Maurer
Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities. The journal of physical chemistry. C, Nanomaterials and interfaces 127 (50) (2023)
Oscar A Douglas-Gallardo, Ian Shepherd, Simon J Bennie, Kara E Ranaghan, Adrian J Mulholland, Esteban Vöhringer-Martinez
Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach. Journal of computational chemistry 41 (24) (2020)
Oscar A Douglas-Gallardo, David Adrian Saez, Stefan Vogt-Geisse, Esteban Vöhringer-Martinez
Electronic structure benchmark calculations of inorganic and biochemical carboxylation reactions. Journal of computational chemistry 40 (13) (2019)