John R Kitchin (John Kitchin)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 5

Top Topics

Room Temperature

Density Functional Theory

Highly Efficient

Top Venues

Journal of chemical information and modeling

The journal of physical chemistry letters

The Journal of chemical physics

bioRxiv : the preprint server for biology

Carnegie Mellon University

University of Delaware (PHD)

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

Affiliation History

Carnegie Mellon University Jan 1o 2006

United States

Professor :: Chemical Engineering

Education History

University of Delaware

United States

PHD :: Chemical Engineering

Publications

Aaron G Garrison, Javier Heras-Domingo, John R Kitchin, Gabriel Dos Passos Gomes, Zachary W Ulissi, Samuel M Blau
Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set. Journal of chemical information and modeling (2023)
Janghoon Ock, Tian Tian, John R Kitchin, Zachary W Ulissi
Beyond independent error assumptions in large GNN atomistic models. The Journal of chemical physics 158 (21) (2023)
Rohan Yuri Sanspeur, Javier Heras-Domingo, John R Kitchin, Zachary W Ulissi
WhereWulff : A Semiautonomous Workflow for Systematic Catalyst Surface Reactivity under Reaction Conditions. Journal of chemical information and modeling (2023)
Chloe Brown, Colette Bilynsky, Melanie A Gainey, Sarah Young, John R Kitchin, Elizabeth C Wayne
Meta-analysis of macrophage nanoparticle targeting across blood and solid tumors using an eLDA Topic modeling Machine Learning approach. bioRxiv : the preprint server for biology (2023)
Karthikeyan Saravanan, John R Kitchin, O Anatole von Lilienfeld, John A Keith
Alchemical Predictions for Computational Catalysis: Potential and Limitations. The journal of physical chemistry letters 8 (20) (2017)