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John Parkhill — most-cited papers & profile · AI for Science
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John Parkhill
3
papers ·
2
citations
Google Scholar ↗
Semantic Scholar ↗
OpenAlex ↗
Most-cited papers
The TensorMol-0.1 Model Chemistry: a Neural Network Augmented with Long-Range Physics
2017 · 2 citations
Pretrained Joint Predictions for Scalable Batch Bayesian Optimization of Molecular Designs
2025
Bond Energies from a Diatomics-in-Molecules Neural Network
2017
Top co-authors
Kun Yao
· 2
Benjamin Kaufman
· 1
Carl Underkoffler
· 1
David W. Toth
· 1
Edward Williams
· 1
John E. Herr
· 1
John Herr
· 1
Matteo Rossi
· 1
Miles Wang-Henderson
· 1
Narbe Mardirossian
· 1
Owen Howell
· 1
Ryan Pederson
· 1
Topics
Chemistry
Physics ML
Materials
Drug Discovery
Medical AI
Protein Science