Daniel E. Widdowson

Analogy Powered by Prediction and Structural Invariants: Computationally Led Discovery of a Mesoporous Hydrogen-Bonded Organic Cage Crystal

Qiang Zhu, Jay Johal, Daniel E. Widdowson et al. · Journal of the American Chemical Society · 2022 · 59 citations · Full text

Average minimum distances of periodic point sets – foundational invariants for mapping periodic crystals

Daniel E. Widdowson, Marco M. Mosca, Angeles Pulido et al. · match Communications in Mathematical and in Computer Chemistry · 2021 · 52 citations · Full text

Crystal Structure, Discrete Geometry, Periodic Point +15

Molecular set transformer: attending to the co-crystals in the Cambridge structural database

Aikaterini Vriza, Ioana Şovago, Daniel E. Widdowson et al. · Digital Discovery · 2022 · 25 citations · Full text

Crystal Structure, Engineering, Molecular Biology +22

Average Minimum Distances of periodic point sets

Daniel E. Widdowson, Marco M. Mosca, Angeles Pulido et al. · arXiv (Cornell University) · 2020 · 12 citations · Full text

Crystal Structure, Engineering, Geometry +19

Pointwise distance distributions of periodic sets.

Daniel E. Widdowson, Vitaliy Kurlin · arXiv (Cornell University) · 2021 · 12 citations · Full text

Engineering, Computational Chemistry, Chemistry +17