Publications

Recent Preprints & Articles

Zwart, P.H. (2025). “Probabilistic Conformal Coverage Guarantees in Small-Data Settings.”
arXiv preprint arXiv:2509.15349
arXiv

Zwart, P.H. et al. (2025). “Behind the Noise: Conformal Quantile Regression Reveals Emergent Representations.”
arXiv preprint arXiv:2505.08176
arXiv

Roberts, E., et al. (2024). “Deep Learning for Scientific Image Analysis.”
Journal of Applied Crystallography
DOI

Holman, H.Y., Chen, S., Zwart, P.H., et al. (2023). “Autonomous Infrared Absorption Spectroscopy.”
[Publication details]

Chavez, D.A., Roberts, E., Zwart, P.H., et al. (2022). “Deep Learning-based Inpainting for Experimental X-ray Scattering.”

Noack, M., Zwart, P.H., Ushizima, D., et al. (2021). “Gaussian Processes for Autonomous Data Acquisition.”
Nature Reviews Physics 3, 476–489
DOI

Structural Biology & Methods

Adams, P.D., Afonine, P.V., Bunkóczi, G., Chen, V.B., Davis, I.W., Echols, N., Headd, J.J., Hung, L.-W., Kapral, G.J., Grosse-Kunstleve, R.W., McCoy, A.J., Moriarty, N.W., Oeffner, R., Read, R.J., Richardson, D.C., Richardson, J.S., Terwilliger, T.C., Zwart, P.H. (2010). “PHENIX: a comprehensive Python-based system for macromolecular structure solution.”
Acta Crystallographica Section D 66, 213-221
DOI | >10,000 citations

Grosse-Kunstleve, R.W., Sauter, N.K., Moriarty, N.W., Zwart, P.H., et al. (2002). “The Computational Crystallography Toolbox: crystallographic algorithms in a reusable software framework.”
Journal of Applied Crystallography

Zwart, P.H., Grosse-Kunstleve, R.W., Adams, P.D. (2005). “Xtriage and Fest: automatic assessment of X-ray data and substructure structure factor estimation.”
CCP4 Newsletter

Zwart, P.H., Grosse-Kunstleve, R.W., Lebedev, A.A., Murshudov, G.N., Adams, P.D. (2008). “Surprises and pitfalls arising from (pseudo)symmetry.”
Acta Crystallographica Section D 64, 99-107

Selected Earlier Work

Zwart, P.H. (2003). “Anomalous Signal Indicators in Protein Crystallography.”
PhD Thesis, University of Amsterdam

[Additional publications - comprehensive list available on Google Scholar]

Google Scholar Profile

For a complete and up-to-date publication list, please visit my Google Scholar profile.

Metrics

• Total Citations: [From Google Scholar]
• h-index: [From Google Scholar]
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Research Themes

My publication record spans several interconnected research areas:

Uncertainty Quantification & Conformal Prediction (2020-present)
Developing rigorous statistical frameworks for trustworthy AI in science

Autonomous Experimentation & Adaptive Control (2019-present)
Intelligent systems for efficient scientific data acquisition

Deep Learning for Scientific Imaging (2017-present)
Foundation models and specialized architectures for scientific applications

Structural Biology & Crystallography (2000-2015)
Computational methods for macromolecular structure determination

Data Quality & Pathology Detection (2005-present)
Automated quality control systems for experimental data

Publications are also listed on ORCID, ResearchGate, and in my CV.